UCSF

ZINC13110453

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 21 No

Popular Name: Phenamil Phenamil

Find On: PubMed — Wikipedia — Google

CAS Number: 2038-35-9

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) 0.70 2.25 -9.88 7 8 0 145 305.729 3 ↓
Hi High (pH 8-9.5) 0.77 0.39 -45.68 6 8 -1 152 304.721 3 ↓
Mid Mid (pH 6-8) 0.70 1.46 -42.83 6 8 -1 143 304.721 3 ↓
Mid Mid (pH 6-8) 0.70 1.65 -37.55 6 8 -1 143 304.721 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCNNA-1-E Amiloride-sensitive Sodium Channel Alpha-subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 401 0.43 Binding ≤ 10μM
Z50425-7-O Plasmodium Falciparum (cluster #7 Of 22), Other Other 6310 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCNNA_HUMAN P37088 Amiloride-sensitive Sodium Channel Alpha-subunit, Human 401 0.43 Binding ≤ 1μM
SCNNA_HUMAN P37088 Amiloride-sensitive Sodium Channel Alpha-subunit, Human 401 0.43 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 6309.57344 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Stimuli-sensing channels

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

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