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GLASS

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GPCR

Name	Platelet-activating factor receptor
Species	Homo sapiens (Human)
Gene	PTAFR
Synonym	PAFr PAF-R PAF receptor AGEPC receptor
Disease	Nerve injury Ocular allergy Pain Unspecified Psoriasis Septic shock Solid tumours Stroke Thrombocytopenia Thromboembolism Inflammatory disease Inflammatory bowel disease Conjunctivitis Cerebral infarction Cardiac arrhythmias Allergy Asthma Brain ischaemia [ Show all ]
Length	342
Amino acid sequence	MEPHDSSHMDSEFRYTLFPIVYSIIFVLGVIANGYVLWVFARLYPCKKFNEIKIFMVNLTMADMLFLITLPLWIVYYQNQGNWILPKFLCNVAGCLFFINTYCSVAFLGVITYNRFQAVTRPIKTAQANTRKRGISLSLVIWVAIVGAASYFLILDSTNTVPDSAGSGNVTRCFEHYEKGSVPVLIIHIFIVFSFFLVFLIILFCNLVIIRTLLMQPVQQQRNAEVKRRALWMVCTVLAVFIICFVPHHVVQLPWTLAELGFQDSKFHQAINDAHQVTLCLLSTNCVLDPVIYCFLTKKFRKHLTEKFYSMRSSRKCSRATTDTVTEVVVPFNQIPGNSLKN
UniProt	P25105
Protein Data Bank	5zkq, 5zkp
GPCR-HGmod model	P25105
3D structure model	This structure is from PDB ID 5zkq.
BioLiP	BL0417415, BL0417417,BL0417419, BL0417416,BL0417418, BL0417414
Therapeutic Target Database	T87023
ChEMBL	CHEMBL250
IUPHAR	334
DrugBank	BE0005561

Ligand

Name	loratadine
Molecular formula	C22H23ClN2O2
IUPAC name	ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
Molecular weight	382.888
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.2
Synonyms	11-[N-(ethoxycarbonyl)-4-piperidylidene]-8-chloro-6,11-dihydro-5H-benzo-[5,6]cyclohepta[1,2-b]pyridine NCI60_041473 Clarityne Dy Repetabs L0223 Oprea1_027965 D06ABF Loracert AB00053224-16 Rhinase DTXSID2023224 ACT04775 SBI-0050659.P003 ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate Loratadine [USAN:USP:INN:BAN] Alavert, Claritin, Loratadine SMR000058255 FT-0627976 Loratadinum BBL010757 Spectrum_001496 HMS3268M16 Lowadina Bonalerg SW197416-3 HY-17043 MLS001148466 CHEBI:6538 Tox21_110185 KBio2_007112 NCGC00015619-05 Claratyne Decongestant Z1741979837 NCGC00015619-13 Claritin reditab Claritine (TN) 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cycloheptal[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester NSC-758628 CPD000058255 Lesidas 7AJO3BO7QN Polaratyne DivK1c_000792 Loranox AB0012486 Roletra ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate Loratadine for system suitability, European Pharmacopoeia (EP) Reference Standard AK-88666 Sch-29851 FC1275 Loratadine, European Pharmacopoeia (EP) Reference Standard AllergyX (TN) SPECTRUM1503712 HMS2051G11 Loratyne BCP9000858 SR-01000075968-3 HMS3654L17 M-5196 BSPBio_002300 Talorat Dy J10034 NC00036 Children's Claritin Tox21_500680 KBioSS_001976 NCGC00015619-08 Claritin ZINC537931 1-Piperidenecarboxylic acid, 4-(8-chloro-5,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester NCGC00023125-05 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester NCGC00255171-01 Clarityne L 9664 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acidethyl ester Nularef CTK8G0633 Lopac-L-9664 8-Chloro-6,11-dihydro-11-(1-ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine REGID_for_CID_3957 DSSTox_GSID_23224 Loratadina AC-2086 SAM001246987 ethyl 4-(8-chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-ylidene)piperidine-1-carboxylate Loratadine Wyeth Brand Alavert Sensibit Fristamin Loratadine,(S) Anhissen Spectrum4_000177 HMS2235G23 Lorfast (TN) BIDD:GT0198 ST2413201 HSDB 3578 MLS000069647 CCG-100786 Tocris-1944 KBio2_001976 NCGC00015619-03 Claratyne Versal NCGC00015619-11 Claritin Hives Relief NINDS_000792 Clarityne-D Lergy 794L755 Optimin Loradex AB00053224_17 Rinolan (TN) Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylate Loratadine (JAN/USAN/INN) Aerotina SC-13436 ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate Loratadine, >=98% (HPLC), powder Alavert;Claritin Sohotin GTPL7216 Loratadinum [Latin] BCP0726000007 SR-01000075968 HMS3371D13 LP00680 BRD-K82795137-001-02-3 Symphoral (TN) I14-0747 MLS001423984 Tox21_110185_1 KBio3_001520 NCGC00015619-06 Clarinase ZB014352 NCGC00023125-02 Claritin Reditabs Clarityn 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester NSC721075 Cronopen Lisino 8-chloro-11-(1-ethoxycarbonyl-4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine Pylor DL-436 Lorantis AB06849 Roletra (TN) Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidine)-1-piperidinecarboxylate loratadine impurity c;4-(4,8-dichloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester AKOS005499513 Sch29851 Flonidan Loratadine, Pharmaceutical Secondary Standard; Certified Reference Material Allertidin Spectrum2_001584 HMS2090O18 Loraver BDBM22876 SR-01000075968-4 HMS3714E09 MCULE-5073177964 C22H23ClN2O2 Tidilor (TN) JCCNYMKQOSZNPW-UHFFFAOYSA-N NCGC00015619-01 Civeran UNII-7AJO3BO7QN Klaritin NCGC00015619-09 Claritin (TN) 1-Piperidenecarboxylic acid,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester NCGC00023125-06 1-piperidinecarboxylic acid,4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-,ethyl ester NCGC00261365-01 Clarityne (TN) L000667 4-(8-chloro-5,6-dihydrobenzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylic acid ethyl ester Opera_ID_1868 D00364 Lopac0_000680 AB00053224-15 Restamine DSSTox_RID_76931 Loratadina [Spanish] AC1L1H3E Sanelor ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0(3),]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}piperidine-1-carboxylate Loratadine [USAN:BAN:INN] Alavert (TN) Sinhistan Dy Fristamin (TN) Loratadine-d4 Bactimicina allergy Spectrum5_001650 HMS3262G21 Loritine Biloina STK574925 HTS028367 MLS000758260 CCG-39362 Topcare childrens allergy relief KBio2_004544 NCGC00015619-04 Claratyne Cold Wyeth Brand of Loratadine NCGC00015619-12 Claritin Hives Relief Reditab Claritine 4-(8-Chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester NSC-721075 Clarium Lertamine 79794-75-5 Pharmakon1600-01503712 DB00455 Loradif AB00053224_18 Rinomex Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate Loratadine 0.1 mg/ml in Methanol AJ-23376 Sch 29851 EU-0100680 Loratadine, British Pharmacopoeia (BP) Reference Standard Alerpriv SPBio_001548 Histaloran Loratidine BCP22338 SR-01000075968-1 HMS3393G11 LS-114660 BRD-K82795137-001-10-6 Tadine IDI1_000792 MolPort-002-507-846 CHEMBL998 Tox21_301532 KBioGR_000693 NCGC00015619-07 Clarinase Reperabs Zeos NCGC00023125-04 NCGC00023125-07 Clarityn (TN) KS-1079 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester NSC758628 CS-0887 Lomilan (TN) 8-chloro-6,11-dihydro-11-(1- ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine Q-100833 DSSTox_CID_3224 Lorastine AB2000066 s1358 ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate Loratadine Redidose Alarin SCHEMBL4596 Flonidan (TN) Loratadine, United States Pharmacopeia (USP) Reference Standard AN-14336 Spectrum3_000740 HMS2093I15 Lorfast Bedix Loratadina SR-01000075968-6 HMS502H14 MFCD00672869 CAS-79794-75-5 TL8005389 KBio1_000792 NCGC00015619-02 CL0028 Velodan KS-00000JOZ NCGC00015619-10 Claritin D 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-, ethyl ester [ Show all ]
Inchi Key	JCCNYMKQOSZNPW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
PubChem CID	3957
ChEMBL	CHEMBL998
IUPHAR	7216
BindingDB	22876
DrugBank	DB00455
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<50000.0 nM	PMID1671420	BindingDB,ChEMBL
IC50	135000.0 nM	PMID16220969	BindingDB,ChEMBL

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