UCSF

ZINC03923836

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 26 Yes

Popular Name: 4-IODO-N-[4-METHOXY-3-(4-METHYL-1-PIPERAZINYL)PHENYL]BENZENESULFONAMIDE HYDROCHLORIDE 4-IODO-N-[4-METHOXY-3-(4-METHYL-…

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CAS Number: 209480-63-7

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) 3.77 7.54 -42.43 2 6 1 63 488.371 5 ↓
Hi High (pH 8-9.5) 3.77 5.24 -41.71 0 6 -1 64 486.355 5 ↓
Hi High (pH 8-9.5) 3.77 7.59 -57.61 1 6 0 65 487.363 5 ↓
Mid Mid (pH 6-8) 3.77 5.19 -8.18 1 6 0 62 487.363 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT6R-1-E 5-hydroxytryptamine Receptor 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT6R_MOUSE Q9R1C8 5-hydroxytryptamine Receptor 6, Mouse 0.75 0.49 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (s) signalling events
Serotonin receptors

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