(S)-4C3HPG


SMILES N[C@@H](c1ccc(c(c1)O)C(=O)O)C(=O)O
InChIKey GXZSAQLJWLCLOX-ZETCQYMHSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 211.0

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
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.18 5.18 5.18 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.29 8.29 8.29 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TA1 TAAR1 Human Trace amine A pEC50 6.0 6.45 6.9 Guide to Pharmacology
TA1 TAAR1 Rat Trace amine A pEC50 6.1 6.25 6.4 Guide to Pharmacology
TA1 TAAR1 Mouse Trace amine A pEC50 6.7 7.7 8.7 Guide to Pharmacology
TA1 TAAR1 Rat Trace amine A pEC50 5.92 6.61 7.86 ChEMBL
TA1 TAAR1 Human Trace amine A pEC50 6.0 6.28 6.85 ChEMBL
TA1 TAAR1 Mouse Trace amine A pEC50 6.66 7.5 8.7 ChEMBL
TA1 TAAR1 Human Trace amine A pEC50 8.16 8.16 8.16 Drug Central
TA1 TAAR1 Rhesus macaque Trace amine A pEC50 8.22 8.22 8.22 Drug Central
TA1 TAAR1 Rat Trace amine A pEC50 8.14 8.14 8.14 Drug Central
TA1 TAAR1 Mouse Trace amine A pEC50 8.06 8.06 8.06 Drug Central
TA1 TAAR1 Rhesus macaque Trace amine A pEC50 6.0 6.0 6.0 ChEMBL