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GPCR

Name	Orexin receptor type 1
Species	Homo sapiens (Human)
Gene	HCRTR1
Synonym	hypocretin receptor 1 OX1R Ox1-R OX1 receptor Ox-1-R orexin receptor type 1 Hctr1 hypocretin (orexin) receptor 1 Hypocretin receptor type 1 [ Show all ]
Disease	Insomnia Sleep disorders; Insomnia; Substance dependence Sleep disorders; Insomnia
Length	425
Amino acid sequence	MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP
UniProt	O43613
Protein Data Bank	4zjc, 4zj8
GPCR-HGmod model	O43613
3D structure model	This structure is from PDB ID 4zjc.
BioLiP	BL0339163, BL0339164
Therapeutic Target Database	T73482
ChEMBL	CHEMBL5113
IUPHAR	321
DrugBank	BE0005864

Ligand

Name	Rimonabant
Molecular formula	C22H21Cl3N4O
IUPAC name	5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
Molecular weight	463.787
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.5
Synonyms	Rimonabant [USAN:INN:JAN] AB01566860_01 Riomont (TN) AKOS005266728 Slimona (TN) BC208812 SR141,716A CC-34263 TR-007307 D03IYT DSSTox_RID_81627 HY-14136 143881-EP2287165A2 MCULE-7311256045 5-(4-Chlorophenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide NCGC00164572-01 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidino-1H-pyrazole-3-carboxamide Rimonbant AC1L2XM5 S-3507 API0004077 SR-01000884001 Bethin (TN) ST2418566 CHEMBL111 Zimulti (TN) D0O3OS FT-0631194 JZCPYUJPEARBJL-UHFFFAOYSA-N 168273-06-1 MolPort-003-850-185 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidyl)pyrazole-3-carboxamide Remonabent (TN) Rimonabant (SR141716) A810956 Riobant AJ-26840 SCHEMBL38637 B1429 SR-141716 C14319 Tox21_112200 CS-0645 [3H]SR141716A DSSTox_CID_26453 HMS3604M05 L000572 N-piperidino-5-(4-chlorophenyl)-1(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-pyrazole-3-carboxamide Rimonabant [USAN:INN] AC-163720 RML78EN3XE AM84578 SMR003500713 BCP07803 SR141716 CHEBI:34967 UNII-RML78EN3XE D05731 DTXSID3046453 I06-0381 143881-EP2287166A2 MLS004774043 5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-4-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID PIPERIDIN-1-YLAMIDE NCGC00164572-02 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-piperidinopyrazole-3-carboxamide 81R131 Rimoslim Acomplia s3021 AS-37280 SR-01000884001-1 BR-61012 STK642500 CJ-05280 ZINC1540228 GP8358 KB-12498 1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl- Monaslim (TN) 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide Rimonabant - from sample AB0056959 Riobant (TN) AK-61012 Slimona BBL030198 SR-141716A CAS-168273-06-1 Tox21_112200_1 CTK8E8269 DSSTox_GSID_46453 HMS3657O15 LS-128155 4CH-015711 N-piperidino-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazolecarboxamide 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide Rimonabant(SR141716) AC-731 RTR-007307 AN-15579 SR 141716 BDBM21278 SR141716A Zimulti D0E0ZR EX-A688 J-010440 143881-EP2292620A2 MLS006011772 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidinyl)-3-pyrazolecarboxamide PYR405 5-(p-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidinopyrazole-3-carboxamide A 281 Rimoslim (TN) Acomplia (TN) SB19549 AY6 SR-14171 C-22624 SW220167-1 CJ-24303 [3H]RIMONABANT DB06155 GTPL743 KS-00000NTG 1H-Pyrazole-3-carboxamide,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl- N-(piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide Rimonabant (JAN/USAN/INN) [ Show all ]
Inchi Key	JZCPYUJPEARBJL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PubChem CID	104850
ChEMBL	CHEMBL111
IUPHAR	743
BindingDB	21278
DrugBank	DB06155
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ke	<10000.0 nM	PMID24944734	ChEMBL

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