UCSF

ZINC53070748

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 29 Yes

Popular Name: N2-[4-(diethylamino)phenyl]-N4-phenyl-quinazoline-2,4-diamine N2-[4-(diethylamino)phenyl]-N4-p…

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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) 6.82 15.63 -58.6 3 5 0 54 384.507 7 ↓
Mid Mid (pH 6-8) 6.82 15.74 -64.27 4 5 0 56 385.515 7 ↓
Mid Mid (pH 6-8) 6.82 15.56 -10.1 2 5 0 53 383.499 7 ↓
Lo Low (pH 4.5-6) 6.56 15.77 -51.65 4 5 0 59 385.515 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997020822A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 4 0.41 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Peptide ligand-binding receptors

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

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