UCSF

ZINC21985310

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 21 Yes

Popular Name: N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine N-(5-Amino-2-methylphenyl)-4-(3-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 152460-10-1 , 782450-12-8 , [152460-10-1]

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) 2.38 7.63 -10.32 3 5 0 77 277.331 3 ↓
Lo Low (pH 4.5-6) 2.38 8.08 -46.05 4 5 1 78 278.339 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 143-147° Oakwood Chemical
MP 145 TCI
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABL1-1-E Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic Eukaryotes 1500 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ABL1_HUMAN P00519 Tyrosine-protein Kinase ABL, Human 1500 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CDO in myogenesis
Factors involved in megakaryocyte development and platelet production
Regulation of actin dynamics for phagocytic cup formation
Role of Abl in Robo-Slit signaling

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

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