UCSF

ZINC66167124

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 33 Yes

Popular Name: 7-methoxy-4-[(3S)-3-phenyl-1-piperidyl]-6-[2-(2-pyridyl)ethoxy]quinazoline 7-methoxy-4-[(3S)-3-phenyl-1-pip…

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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) 4.49 14.02 -10.04 0 6 0 60 440.547 7 ↓
Mid Mid (pH 6-8) 4.49 14.48 -33.97 1 6 1 62 441.555 7 ↓

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 247 0.28 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 247 0.28 Binding ≤ 1μM
PDE10_RAT Q9QYJ6 CAMP And CAMP-inhibited CGMP 3',5'-cyclic Phosphodiesterase 10A, Rat 247 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects
G alpha (s) signalling events

Rings

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

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