SR 46349B


SMILES CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.C(=CC(=O)O)C(=O)O
InChIKey UCLIFEBROADCQW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 16
Molecular weight (Da) 772.3

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
H1 HRH1 Rat Histamine A pKi 5.3 5.3 5.3 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.05 5.05 5.05 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.0 5.52 6.04 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 6.92 6.92 6.92 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.0 9.0 9.0 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.97 5.97 5.97 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.09 8.09 8.09 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.6 5.6 5.6 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.76 5.76 5.76 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.41 5.41 5.41 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.14 6.14 6.14 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.62 5.62 5.62 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.44 5.44 5.44 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.52 5.52 5.52 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 9.02 9.02 9.02 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 5.67 5.67 5.67 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.14 6.14 6.14 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database