CHEMBL4579120


SMILES CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12
InChIKey IUTIFFCHHGVIJE-DQROVBKRSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 634.4

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
NK2 NK2R Human Tachykinin A pKi 6.85 6.85 6.85 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.06 6.06 6.06 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.51 6.51 6.51 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.01 6.01 6.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pIC50 6.58 6.58 6.58 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.8 5.8 5.8 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.31 6.31 6.31 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.75 5.75 5.75 ChEMBL