UCSF

ZINC01545857

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 25 Yes

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) 3.20 1.74 -10.68 0 6 0 59 341.363 6
Lo Low (pH 4.5-6) 3.20 1.83 -36.85 1 6 1 60 342.371 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGFRA-2-E Platelet-derived Growth Factor Receptor Alpha (cluster #2 Of 2), Eukaryotic Eukaryotes 70 0.40 Binding ≤ 10μM
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.42 Binding ≤ 10μM
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 130 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGFRA_MOUSE P26618 Platelet-derived Growth Factor Receptor Alpha, Mouse 70 0.40 Binding ≤ 1μM
PGFRA_HUMAN P16234 Platelet-derived Growth Factor Receptor Alpha, Human 150 0.38 Binding ≤ 1μM
PGFRB_HUMAN P09619 Platelet-derived Growth Factor Receptor Beta, Human 150 0.38 Binding ≤ 1μM
PGFRB_MOUSE P05622 Platelet-derived Growth Factor Receptor Beta, Mouse 70 0.40 Binding ≤ 1μM
PGFRA_MOUSE P26618 Platelet-derived Growth Factor Receptor Alpha, Mouse 70 0.40 Binding ≤ 10μM
PGFRA_HUMAN P16234 Platelet-derived Growth Factor Receptor Alpha, Human 150 0.38 Binding ≤ 10μM
PGFRB_MOUSE P05622 Platelet-derived Growth Factor Receptor Beta, Mouse 70 0.40 Binding ≤ 10μM
PGFRB_HUMAN P09619 Platelet-derived Growth Factor Receptor Beta, Human 150 0.38 Binding ≤ 10μM
PGFRB_RAT Q05030 Platelet-derived Growth Factor Receptor Beta, Rat 130 0.39 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% )