compound 1a [PMID: 18573659]


SMILES Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl
InChIKey SXVZDDYARZWATR-KRWDZBQOSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 525.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
UT UR2R Human Urotensin A pKi 8.4 8.4 8.4 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.07 7.07 7.07 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.0 7.0 7.0 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.42 7.42 7.42 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.85 6.85 6.85 ChEMBL
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 5.14 5.14 5.14 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.85 6.85 6.85 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.39 5.39 5.39 ChEMBL
UT UR2R Human Urotensin A pKi 8.4 8.4 8.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
UT UR2R Human Urotensin A pIC50 8.4 8.4 8.4 ChEMBL