UCSF

ZINC08793749

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 12 Yes

Popular Name: 2-Methylquinazolin-4-ol 2-Methylquinazolin-4-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 132305-21-6 , 1769-24-0 , 29378-39-0 , N/A , [1769-24-0]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.07 3.4 -9.84 1 3 0 46 160.176 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 231-233 °C(lit.) Indofine
MP 238-239.8o C Indofine
melting_point 242 - 244 KeyOrganics
Warnings IRRITANT Matrix Scientific
SOLUBILITY Soluble in Chloroform Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PARP1-2-E Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic Eukaryotes 5600 0.61 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PARP1_HUMAN P09874 Poly [ADP-ribose] Polymerase-1, Human 5600 0.61 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Downregulation of SMAD2/3:SMAD4 transcriptional activity

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