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Ligand

NameJD-5037
Molecular formulaC27H27Cl2N5O3S
IUPAC name(2S)-2-[[[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-[(4-chlorophenyl)sulfonylamino]methylidene]amino]-3-methylbutanamide
Molecular weight572.505
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.7
SynonymsBCP23654
EX-A2516
UNII-ENZ75DG2Z6
(S)-2-((Z)-(((S)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(4-chlorophenylsulfonamido)methylene)amino)-3-methylbutanamide
Butanamide, 2-((((4S)-3-(4-chlorophenyl)-4,5-dihydro-4-phenyl-1H-pyrazol-1-yl)(((4-chlorophenyl)sulfonyl)amino)methylene)amino)-3-methyl-, (2S)-
[ Show all ]
Inchi KeyGTCSIQFTNPTSLO-RPWUZVMVSA-N
Inchi IDInChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24+/m1/s1
PubChem CID66553204
ChEMBLCHEMBL2153670
IUPHARN/A
BindingDB50392283
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
104727Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
445830Cannabinoid receptor 1P47746Cnr1Mus musculus (Mouse)473
104726Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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