TAK-779


SMILES Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C
InChIKey XNHZXMPLVSJQFK-UHFFFAOYSA-O

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 495.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations CCR2 CCR5 CXCR3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
DP1 PD2R Human Prostanoid A pKi 6.9 6.9 6.9 Guide to Pharmacology
EP1 PE2R1 Human Prostanoid A pKi 7.6 7.6 7.6 Guide to Pharmacology
EP2 PE2R2 Human Prostanoid A pKi 6.0 6.0 6.0 Guide to Pharmacology
EP3 PE2R3 Human Prostanoid A pKi 7.85 7.85 7.85 Guide to Pharmacology
EP4 PE2R4 Human Prostanoid A pKi 6.5 6.5 6.5 Guide to Pharmacology
FP PF2R Human Prostanoid A pKi 6.4 6.45 6.5 Guide to Pharmacology
TP TA2R Human Prostanoid A pKi 4.7 4.7 4.7 Guide to Pharmacology
EP3 PE2R3 Mouse Prostanoid A pKi 7.51 7.51 7.51 Guide to Pharmacology
FP PF2R Mouse Prostanoid A pKi 5.9 5.9 5.9 Guide to Pharmacology
EP4 PE2R4 Mouse Prostanoid A pKi 5.6 5.6 5.6 Guide to Pharmacology
IP PI2R Mouse Prostanoid A pKi 7.0 7.0 7.0 Guide to Pharmacology
EP2 PE2R2 Mouse Prostanoid A pKi 5.8 5.8 5.8 Guide to Pharmacology
IP PI2R Human Prostanoid A pKi 6.5 6.55 6.6 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database