UCSF

ZINC03798289

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 32 Yes

Popular Name: 4-((Benzhydryloxy)methyl)-1-(3-(4-methoxyphenyl)propyl)piperidine hydrochloride 4-((Benzhydryloxy)methyl)-1-(3-(…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 136647-02-4 , [136647-02-4]

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) 6.66 2.29 -42.03 1 3 1 22 430.612 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-3-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #3 Of 3), Eukaryotic Eukaryotes 200 0.29 Binding ≤ 10μM
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 280 0.29 Functional ≤ 10μM
Z81047-1-O Human T-cell Line (cluster #1 Of 2), Other Other 400 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_HUMAN P22001 Voltage-gated Potassium Channel Subunit Kv1.3, Human 200 0.29 Binding ≤ 1μM
KCNA3_HUMAN P22001 Voltage-gated Potassium Channel Subunit Kv1.3, Human 200 0.29 Binding ≤ 10μM
Z81047 Z81047 Human T-cell Line 400 0.28 Functional ≤ 10μM
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 280 0.29 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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

No pre-computed analogs available. Try a structural similarity search.