CHEMBL461571


SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1
InChIKey DHUATBAZHILHIC-MRXNPFEDSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 531.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
FP PF2R Human Prostanoid A pIC50 5.56 5.56 5.56 ChEMBL
IP PI2R Human Prostanoid A pIC50 5.2 5.2 5.2 ChEMBL
DP1 PD2R Human Prostanoid A pIC50 5.07 5.07 5.07 ChEMBL
EP3 PE2R3 Human Prostanoid A pIC50 5.91 5.91 5.91 ChEMBL
EP4 PE2R4 Human Prostanoid A pIC50 5.43 5.43 5.43 ChEMBL
TP TA2R Human Prostanoid A pIC50 5.69 5.69 5.69 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 6.11 6.11 6.11 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 6.28 6.28 6.28 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 5.39 5.39 5.39 ChEMBL
β3 ADRB3 Human Adrenoceptors A pIC50 5.31 5.31 5.31 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.78 5.78 5.78 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.87 5.87 5.87 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 5.81 5.81 5.81 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.94 5.94 5.94 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.82 5.82 5.82 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.08 6.08 6.08 ChEMBL
δ OPRD Human Opioid A pIC50 5.77 5.77 5.77 ChEMBL
κ OPRK Human Opioid A pIC50 5.46 5.46 5.46 ChEMBL
μ OPRM Human Opioid A pIC50 5.73 5.73 5.73 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.45 5.45 5.45 ChEMBL