UCSF

ZINC13118827

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 33 No

Popular Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-methyl-1-piperidyl)propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbox 3-[(4-chlorophenyl)methyl]-N-[3-…

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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) 4.66 12.92 -69.05 2 6 0 68 485.053 7 ↓
Lo Low (pH 4.5-6) 3.93 13.23 -51.99 3 6 1 71 486.061 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAC1G-1-E Voltage-gated T-type Calcium Channel Alpha-1G Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 1100 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAC1G_HUMAN O43497 Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human 1100 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
NCAM1 interactions

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