UCSF

ZINC00424907

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 Yes

Popular Name: 2-methyl-5-(4-pyridylmethylthio)-[1,2,4]triazolo[1,5-c]quinazoline 2-methyl-5-(4-pyridylmethylthio)…

Find On: PubMed — Wikipedia — Google

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) 2.48 9.57 -12.2 0 5 0 56 307.382 3 ↓
Lo Low (pH 4.5-6) 2.48 9.85 -42.41 1 5 1 57 308.39 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE10-1-E Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic Eukaryotes 380 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE10_HUMAN Q9Y233 Phosphodiesterase 10A, Human 380 0.41 Binding ≤ 1μM
PDE10_HUMAN Q9Y233 Phosphodiesterase 10A, Human 380 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects
G alpha (s) signalling events

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

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