Sr 46349b

Chemical Properties

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

Drug Properties

Type Small molecule
Endogenous No
Approved No
InChIKey UCLIFEBROADCQW-UHFFFAOYSA-N

Database Connections

External Links


Bioactivity

Receptor Experimental Data Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Rat Histamine A pKi 4.3 4.3 4.3 PDSP KiDatabase
D1 DRD1 Rat Dopamine A pKi 4.05 4.05 4.05 PDSP KiDatabase
D2 DRD2 Rat Dopamine A pKi 4.0 4.0 4.0 PDSP KiDatabase
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 4.0 4.0 4.0 PDSP KiDatabase
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 4.0 4.52 5.04 PDSP KiDatabase
5-HT2C A0A4X1VZZ6 Pig 5-Hydroxytryptamine A pKi 5.92 5.92 5.92 PDSP KiDatabase
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 4.0 4.0 4.0 PDSP KiDatabase
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 PDSP KiDatabase
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 4.97 4.97 4.97 PDSP KiDatabase
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.09 7.09 7.09 PDSP KiDatabase
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 4.6 4.6 4.6 PDSP KiDatabase
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.02 8.02 8.02 PDSP KiDatabase
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 7.08 7.08 7.08 PDSP KiDatabase
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 4.76 4.76 4.76 PDSP KiDatabase
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 4.41 4.41 4.41 PDSP KiDatabase
D1 DRD1 Human Dopamine A pKi 4.0 4.0 4.0 PDSP KiDatabase
D3 DRD3 Rat Dopamine A pKi 4.0 4.0 4.0 PDSP KiDatabase
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.14 5.14 5.14 PDSP KiDatabase
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 4.0 4.0 4.0 PDSP KiDatabase
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 4.62 4.62 4.62 PDSP KiDatabase
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 4.44 4.44 4.44 PDSP KiDatabase
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 4.52 4.52 4.52 PDSP KiDatabase
α2A ADA2A Human Adrenoceptors A pKi 5.14 5.14 5.14 PDSP KiDatabase
α2C ADA2C Human Adrenoceptors A pKi 4.67 4.67 4.67 PDSP KiDatabase