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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Histamine H1 receptor
Species	Mus musculus (Mouse)
Gene	Hrh1
Synonym	H1 receptor H1R HH1R Hisr
Disease	N/A for non-human GPCRs
Length	488
Amino acid sequence	MSLPNTSSASEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFLSFLWVIPILGWHHFTPLAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPTFLEIKLRSEDAKEGAKKPGKESPWGVQKRPSRDPTGGLDQKSTSEDPKVTSPTVFSQEGERETVTRPCFRLDVMQTQPVPEGDARGSKANDQTLSQPKMDEQSLSTCRRISETSEDQTLVDRQSFSRTTDSDTSIEPGLGKVKARSRSNSGLDYIKVTWKRLRSHSRQYVSGLHLNRERKAAKQLGCIMAAFILCWIPYFIFFMVIAFCNSCCSEPVHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProt	P70174
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4322
IUPHAR	N/A
DrugBank	N/A

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	AC-2086 ethyl 4-(8-chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-ylidene)piperidine-1-carboxylate Alavert Fristamin Anhissen HMS2235G23 BIDD:GT0198 HSDB 3578 CCG-100786 KBio2_001976 Claratyne Claritin Hives Relief 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester Clarityne 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acidethyl ester CTK8G0633 8-Chloro-6,11-dihydro-11-(1-ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine DSSTox_GSID_23224 NC00036 Tox21_500680 NCGC00015619-08 ZINC537931 NCGC00023125-05 NSC-758628 Lesidas Polaratyne Loranox Roletra Loratadine for system suitability, European Pharmacopoeia (EP) Reference Standard Sch-29851 Loratadine, European Pharmacopoeia (EP) Reference Standard SPECTRUM1503712 Loratyne SR-01000075968-3 M-5196 Talorat Dy Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylate Aerotina 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 Alavert;Claritin GTPL7216 BCP0726000007 HMS3371D13 BRD-K82795137-001-02-3 I14-0747 KBio3_001520 Clarinase Claritin Reditabs Clarityne-D 794L755 AB00053224_17 Tocris-1944 NCGC00015619-03 Versal NCGC00015619-11 NCGC00255171-01 L 9664 Nularef Lopac-L-9664 REGID_for_CID_3957 Loratadina SAM001246987 Loratadine Wyeth Brand Sensibit Loratadine,(S) Spectrum4_000177 Lorfast (TN) ST2413201 MLS000069647 AB06849 Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidine)-1-piperidinecarboxylate AKOS005499513 Flonidan Allertidin HMS2090O18 BDBM22876 HMS3714E09 C22H23ClN2O2 JCCNYMKQOSZNPW-UHFFFAOYSA-N Civeran Klaritin Claritin (TN) 1-Piperidenecarboxylic acid,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester Clarityn 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester Cronopen 8-chloro-11-(1-ethoxycarbonyl-4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine DL-436 MLS001423984 Tox21_110185_1 NCGC00015619-06 ZB014352 NCGC00023125-02 NINDS_000792 Lergy Optimin Loradex Rinolan (TN) Loratadine (JAN/USAN/INN) SC-13436 Loratadine, >=98% (HPLC), powder Sohotin Loratadinum [Latin] SR-01000075968 LP00680 Symphoral (TN) DSSTox_RID_76931 AC1L1H3E 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 Alavert (TN) Fristamin (TN) Bactimicina allergy HMS3262G21 Biloina HTS028367 CCG-39362 KBio2_004544 Claratyne Cold Claritin Hives Relief Reditab 1-piperidinecarboxylic acid,4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-,ethyl ester Clarityne (TN) 4-(8-chloro-5,6-dihydrobenzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylic acid ethyl ester D00364 AB00053224-15 Tidilor (TN) NCGC00015619-01 UNII-7AJO3BO7QN NCGC00015619-09 NCGC00023125-06 NSC721075 Lisino Pylor Lorantis Roletra (TN) 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 Sch29851 Loratadine, Pharmaceutical Secondary Standard; Certified Reference Material Spectrum2_001584 Loraver SR-01000075968-4 MCULE-5073177964 Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate AJ-23376 EU-0100680 Alerpriv Histaloran BCP22338 HMS3393G11 BRD-K82795137-001-10-6 IDI1_000792 CHEMBL998 KBioGR_000693 Clarinase Reperabs Claritine 4-(8-Chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester Clarium 79794-75-5 DB00455 AB00053224_18 Topcare childrens allergy relief NCGC00015619-04 Wyeth Brand of Loratadine NCGC00015619-12 NCGC00261365-01 L000667 Opera_ID_1868 Lopac0_000680 Restamine Loratadina [Spanish] Sanelor Loratadine [USAN:BAN:INN] Sinhistan Dy Loratadine-d4 Spectrum5_001650 Loritine STK574925 MLS000758260 AB2000066 ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate Alarin Flonidan (TN) AN-14336 HMS2093I15 Bedix Loratadina HMS502H14 CAS-79794-75-5 KBio1_000792 CL0028 KS-00000JOZ Claritin D 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-, ethyl ester Clarityn (TN) 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester CS-0887 8-chloro-6,11-dihydro-11-(1- ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine DSSTox_CID_3224 MolPort-002-507-846 Tox21_301532 NCGC00015619-07 Zeos NCGC00023125-04 NSC-721075 Lertamine Pharmakon1600-01503712 Loradif Rinomex Loratadine 0.1 mg/ml in Methanol Sch 29851 Loratadine, British Pharmacopoeia (BP) Reference Standard SPBio_001548 Loratidine SR-01000075968-1 LS-114660 Tadine DTXSID2023224 ACT04775 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 Alavert, Claritin, Loratadine FT-0627976 BBL010757 HMS3268M16 Bonalerg HY-17043 CHEBI:6538 KBio2_007112 Claratyne Decongestant Claritin reditab 11-[N-(ethoxycarbonyl)-4-piperidylidene]-8-chloro-6,11-dihydro-5H-benzo-[5,6]cyclohepta[1,2-b]pyridine Clarityne Dy Repetabs D06ABF AB00053224-16 TL8005389 NCGC00015619-02 Velodan NCGC00015619-10 NCGC00023125-07 KS-1079 NSC758628 Lomilan (TN) Q-100833 Lorastine s1358 Loratadine Redidose SCHEMBL4596 Loratadine, United States Pharmacopeia (USP) Reference Standard Spectrum3_000740 Lorfast SR-01000075968-6 MFCD00672869 ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate AK-88666 FC1275 AllergyX (TN) HMS2051G11 BCP9000858 HMS3654L17 BSPBio_002300 J10034 Children's Claritin KBioSS_001976 Claritin 1-Piperidenecarboxylic acid, 4-(8-chloro-5,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester Claritine (TN) 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cycloheptal[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester CPD000058255 7AJO3BO7QN DivK1c_000792 AB0012486 MLS001148466 Tox21_110185 NCGC00015619-05 Z1741979837 NCGC00015619-13 NCI60_041473 L0223 Oprea1_027965 Loracert Rhinase SBI-0050659.P003 Loratadine [USAN:USP:INN:BAN] SMR000058255 Loratadinum Spectrum_001496 Lowadina SW197416-3 [ 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
ED50	12.9 mg.kg-1	PMID15566302	ChEMBL
ID50	36.0 mg.kg-1	PMID7853343	ChEMBL

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