UCSF

ZINC27316053

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 26 Yes

Popular Name: 4-fluoro-N-[3-(1-methyl-4-piperidyl)-1H-indol-4-yl]benzamide 4-fluoro-N-[3-(1-methyl-4-piperi…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 10.55 -56.55 3 4 1 49 352.433 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT1F-1-E Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT1F_HUMAN P30939 Serotonin 1f (5-HT1f) Receptor, Human 1.6 0.47 Binding ≤ 1μM
5HT1F_HUMAN P30939 Serotonin 1f (5-HT1f) Receptor, Human 1.6 0.47 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Serotonin receptors

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )