UCSF

ZINC38513721

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 28 Yes

Popular Name: 6-chloro-5-[1-[(3R)-1-methyl-3-piperidyl]pyrrolo[2,3-b]pyridin-3-yl]sulfonyl-imidazo[2,1-b]thiazole 6-chloro-5-[1-[(3R)-1-methyl-3-p…

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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) 2.71 9.08 -51.66 1 7 1 74 436.97 3 ↓
Hi High (pH 8-9.5) 2.71 6.68 -16.92 0 7 0 73 435.962 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT6R-2-E Serotonin 6 (5-HT6) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT6R_HUMAN P50406 Serotonin 6 (5-HT6) Receptor, Human 1.99526231 0.44 Binding ≤ 1μM
5HT6R_HUMAN P50406 Serotonin 6 (5-HT6) Receptor, Human 1.99526231 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (s) signalling events
Serotonin receptors

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