UCSF

ZINC00334446

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 1-Phenyl-1H-benzoimidazole 1-Phenyl-1H-benzoimidazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2622-60-8 , 97542-80-8 , [2622-60-8] , [97542-80-8]

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) 2.77 9.15 -8.04 0 2 0 18 194.237 1 ↓
Lo Low (pH 4.5-6) 2.77 9.63 -29.25 1 2 1 19 195.245 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
PUBCHEM_PATENT_ID EP0126231A2; EP0888344A1; US4508892; US4533678; US4615986; US6110903; WO1997033887A1; WO1998039343A1; WO2000015845A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 9300 0.47 Binding ≤ 10μM
PGFRA-1-E Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 2300 0.53 Functional ≤ 10μM
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 2300 0.53 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGFRB_MOUSE P05622 Platelet-derived Growth Factor Receptor Beta, Mouse 9300 0.47 Binding ≤ 10μM
PGFRA_RAT P20786 Platelet-derived Growth Factor Receptor Alpha, Rat 2300 0.53 Functional ≤ 10μM
PGFRB_RAT Q05030 Platelet-derived Growth Factor Receptor Beta, Rat 2300 0.53 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Constitutive PI3K/AKT Signaling in Cancer
Downstream signal transduction
PIP3 activates AKT signaling
Signaling by PDGF

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