β-FNA


SMILES COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O
InChIKey PQKHESYTSKMWFP-WZJCLRDWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 454.2

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-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.3 7.4 7.5 Guide to Pharmacology
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 Guide to Pharmacology
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.8 7.8 7.8 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.3 8.3 8.3 Guide to Pharmacology
D1 DRD1 Rat Dopamine A pKi 6.85 6.85 6.85 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.88 6.88 6.88 ChEMBL
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.78 7.78 7.78 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.34 8.34 8.34 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.54 7.54 7.54 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 7.7 7.73 7.74 PDSP Ki database
D4 DRD4 Rat Dopamine A pKi 6.89 6.89 6.89 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.5 6.5 6.5 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 6.59 6.59 6.59 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.39 7.39 7.39 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.06 8.06 8.06 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.15 7.15 7.15 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.77 7.77 7.77 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 7.68 7.68 7.68 PDSP Ki database
D2 DRD2 Mouse Dopamine A pKi 6.61 6.61 6.61 PDSP Ki database
D1 DRD1 Mouse Dopamine A pKi 7.07 7.07 7.07 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.85 7.85 7.85 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database