SQ-29548


SMILES O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2
InChIKey RJNDVCNWVBWHLY-OQMICVBCSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 387.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TP TA2R Human Prostanoid A pKi 8.1 8.6 9.1 Guide to Pharmacology
TP TA2R Human Prostanoid A pKd 7.4 7.8 8.2 Guide to Pharmacology
TP TA2R Mouse Prostanoid A pKi 7.9 7.9 7.9 Guide to Pharmacology
TP TA2R Rat Prostanoid A pKd 9.0 9.0 9.0 Guide to Pharmacology
TP TA2R Human Prostanoid A pKi 7.8 8.04 8.33 PDSP Ki database
EP1 PE2R1 Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
EP3 PE2R3 Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
EP4 PE2R4 Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
DP1 PD2R Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
IP PI2R Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
FP PF2R Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database