UCSF

ZINC72116552

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2012 28 Yes

Popular Name: 7-methoxy-N,N-dimethyl-6-[2-(2-quinolyl)ethoxy]quinazolin-4-amine 7-methoxy-N,N-dimethyl-6-[2-(2-q…

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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) 3.27 10.77 -11.57 0 6 0 60 374.444 6 ↓
Mid Mid (pH 6-8) 3.27 11.23 -34.18 1 6 1 62 375.452 6 ↓
Lo Low (pH 4.5-6) 3.27 11.23 -31.36 1 6 1 62 375.452 6 ↓

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 14 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE10_RAT Q9QYJ6 CAMP And CAMP-inhibited CGMP 3',5'-cyclic Phosphodiesterase 10A, Rat 14 0.39 Binding ≤ 1μM
PDE10_RAT Q9QYJ6 CAMP And CAMP-inhibited CGMP 3',5'-cyclic Phosphodiesterase 10A, Rat 14 0.39 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.