UCSF

ZINC29050665

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 24 Yes

Popular Name: (R)-(4-chlorophenyl)-[1-(9H-purin-6-yl)-4-piperidyl]methanamine (R)-(4-chlorophenyl)-[1-(9H-puri…

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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) 1.42 9.5 -60.18 4 6 1 85 343.842 3 ↓
Hi High (pH 8-9.5) 1.42 9.19 -10.89 3 6 0 84 342.834 3 ↓
Lo Low (pH 4.5-6) 1.42 8.23 -106.95 5 6 2 87 344.85 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AKT2-2-E Serine/threonine-protein Kinase AKT2 (cluster #2 Of 2), Eukaryotic Eukaryotes 71 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AKT2_HUMAN P31751 Serine/threonine-protein Kinase AKT2, Human 71 0.42 Binding ≤ 1μM
AKT2_HUMAN P31751 Serine/threonine-protein Kinase AKT2, Human 71 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of BAD and translocation to mitochondria
Activation of PKB
AKT phosphorylates targets in the cytosol
AKT phosphorylates targets in the nucleus
AKT-mediated inactivation of FOXO1A
CD28 dependent PI3K/Akt signaling
Constitutive PI3K/AKT Signaling in Cancer
CTLA4 inhibitory signaling
deactivation of the beta-catenin transactivating complex
Downregulation of ERBB2:ERBB3 signaling
G beta:gamma signalling through PI3Kgamma
GPVI-mediated activation cascade
Inhibition of TSC complex formation by PKB
Negative regulation of the PI3K/AKT network
PDE3B signalling
PIP3 activates AKT signaling
Translocation of GLUT4 to the plasma membrane
VEGFR2 mediated vascular permeability

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