INS49266


SMILES O=C(c1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@@H](O2)Cc1ccccc1)COP(=O)(OP(=O)(O)O)O
InChIKey VXEHVAOFCPIBTQ-XXXKQHFZSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 633.1

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
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.6 7.6 7.6 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.5 5.5 5.5 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.6 6.6 6.6 Guide to Pharmacology
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.08 6.08 6.08 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.6 8.6 8.6 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.6 8.6 8.61 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 7.91 8.22 8.54 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.58 7.9 8.22 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.48 5.62 5.85 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.99 6.29 6.58 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.47 5.47 5.47 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.56 5.56 5.56 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 5.8 5.8 5.8 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 5.73 5.73 5.73 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 5.8 5.8 5.8 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 5.93 5.93 5.93 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 6.49 6.49 6.49 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 5.54 5.54 5.54 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.79 5.79 5.79 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.07 6.07 6.07 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 7.15 7.15 7.15 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 5.41 5.41 5.41 PDSP Ki database
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKi 5.33 5.33 5.33 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database