UCSF

ZINC34285211

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 31 Yes

Popular Name: GSK690693 GSK690693

Find On: PubMed — Wikipedia — Google

CAS Numbers: 937174-76-0 , [937174-76-0]

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) 1.86 4.73 -55.02 5 10 1 142 426.501 5 ↓
Hi High (pH 8-9.5) 9.94 23.06 -7.51 1 3 0 47 633.014 17 ↓

Vendor Notes

Note Type Comments Provided By
Target Akt Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AAPK2-1-E AMP-activated Protein Kinase, Alpha-2 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.33 Binding ≤ 10μM
AKT1-2-E RAC-alpha Serine/threonine-protein Kinase (cluster #2 Of 3), Eukaryotic Eukaryotes 2 0.39 Binding ≤ 10μM
AKT2-2-E Serine/threonine-protein Kinase AKT2 (cluster #2 Of 2), Eukaryotic Eukaryotes 4 0.38 Binding ≤ 10μM
AKT3-2-E Serine/threonine-protein Kinase AKT3 (cluster #2 Of 2), Eukaryotic Eukaryotes 9 0.36 Binding ≤ 10μM
DAPK3-1-E Death-associated Protein Kinase 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 81 0.32 Binding ≤ 10μM
GSK3B-1-E Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic Eukaryotes 138 0.31 Binding ≤ 10μM
KGP1-1-E CGMP-dependent Protein Kinase 1 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 33 0.34 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 19 0.35 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 14 0.35 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 21 0.35 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 2 0.39 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 2 0.39 Binding ≤ 10μM
KS6A1-1-E Ribosomal Protein S6 Kinase Alpha 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1260 0.27 Binding ≤ 10μM
KS6A5-1-E Ribosomal Protein S6 Kinase Alpha 5 (cluster #1 Of 3), Eukaryotic Eukaryotes 7940 0.23 Binding ≤ 10μM
PAK4-1-E Serine/threonine-protein Kinase PAK 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.36 Binding ≤ 10μM
PAK6-1-E Serine/threonine-protein Kinase PAK6 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.37 Binding ≤ 10μM
PAK7-1-E Serine/threonine-protein Kinase PAK7 (cluster #1 Of 1), Eukaryotic Eukaryotes 52 0.33 Binding ≤ 10μM
PRKX-1-E Serine/threonine-protein Kinase PRKX (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.37 Binding ≤ 10μM
ROCK1-1-E Rho-associated Protein Kinase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 890 0.27 Binding ≤ 10μM
Z81170-1-O LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other Other 21 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AAPK2_RAT Q09137 AMP-activated Protein Kinase, Alpha-2 Subunit, Rat 50 0.33 Binding ≤ 1μM
KGP1_HUMAN Q13976 CGMP-dependent Protein Kinase 1 Beta, Human 33 0.34 Binding ≤ 1μM
DAPK3_HUMAN O43293 Death-associated Protein Kinase 3, Human 81 0.32 Binding ≤ 1μM
GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 138 0.31 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 19 0.35 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 14 0.35 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 21 0.35 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 2 0.39 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 2 0.39 Binding ≤ 1μM
ROCK1_HUMAN Q13464 Rho-associated Protein Kinase 1, Human 890 0.27 Binding ≤ 1μM
AKT1_HUMAN P31749 Serine/threonine-protein Kinase AKT, Human 1 0.41 Binding ≤ 1μM
AKT2_HUMAN P31751 Serine/threonine-protein Kinase AKT2, Human 13 0.36 Binding ≤ 1μM
AKT3_HUMAN Q9Y243 Serine/threonine-protein Kinase AKT3, Human 13 0.36 Binding ≤ 1μM
PAK4_HUMAN O96013 Serine/threonine-protein Kinase PAK 4, Human 10 0.36 Binding ≤ 1μM
PAK6_HUMAN Q9NQU5 Serine/threonine-protein Kinase PAK6, Human 6 0.37 Binding ≤ 1μM
PAK7_HUMAN Q9P286 Serine/threonine-protein Kinase PAK7, Human 52 0.33 Binding ≤ 1μM
PRKX_HUMAN P51817 Serine/threonine-protein Kinase PRKX, Human 5 0.37 Binding ≤ 1μM
AAPK2_RAT Q09137 AMP-activated Protein Kinase, Alpha-2 Subunit, Rat 50 0.33 Binding ≤ 10μM
KGP1_HUMAN Q13976 CGMP-dependent Protein Kinase 1 Beta, Human 33 0.34 Binding ≤ 10μM
DAPK3_HUMAN O43293 Death-associated Protein Kinase 3, Human 81 0.32 Binding ≤ 10μM
GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 138 0.31 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 19 0.35 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 14 0.35 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 21 0.35 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 2 0.39 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 2 0.39 Binding ≤ 10μM
ROCK1_HUMAN Q13464 Rho-associated Protein Kinase 1, Human 890 0.27 Binding ≤ 10μM
KS6A1_HUMAN Q15418 Ribosomal Protein S6 Kinase Alpha 1, Human 1260 0.27 Binding ≤ 10μM
KS6A5_HUMAN O75582 Ribosomal Protein S6 Kinase Alpha 5, Human 7940 0.23 Binding ≤ 10μM
AKT1_HUMAN P31749 Serine/threonine-protein Kinase AKT, Human 1 0.41 Binding ≤ 10μM
AKT2_HUMAN P31751 Serine/threonine-protein Kinase AKT2, Human 13 0.36 Binding ≤ 10μM
AKT3_HUMAN Q9Y243 Serine/threonine-protein Kinase AKT3, Human 13 0.36 Binding ≤ 10μM
PAK4_HUMAN O96013 Serine/threonine-protein Kinase PAK 4, Human 10 0.36 Binding ≤ 10μM
PAK6_HUMAN Q9NQU5 Serine/threonine-protein Kinase PAK6, Human 6 0.37 Binding ≤ 10μM
PAK7_HUMAN Q9P286 Serine/threonine-protein Kinase PAK7, Human 52 0.33 Binding ≤ 10μM
PRKX_HUMAN P51817 Serine/threonine-protein Kinase PRKX, Human 5 0.37 Binding ≤ 10μM
Z81170 Z81170 LNCaP (Prostate Carcinoma) 20 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of BAD and translocation to mitochondria
Activation of NF-kappaB in B cells
Activation of PKB
Activation of Rac
AKT phosphorylates targets in the cytosol
AKT phosphorylates targets in the nucleus
AKT-mediated inactivation of FOXO1A
APC truncation mutants have impaired AXIN binding
Apoptotic cleavage of cellular proteins
AXIN missense mutants destabilize the destruction complex
Beta-catenin phosphorylation cascade
Butyrate Response Factor 1 (BRF1) destabilizes mRNA
Ca2+ pathway
Calmodulin induced events
CD28 dependent PI3K/Akt signaling
Constitutive PI3K/AKT Signaling in Cancer
CREB phosphorylation
CREB phosphorylation through the activation of Ras
CRMPs in Sema3A signaling
CTLA4 inhibitory signaling
DAG and IP3 signaling
deactivation of the beta-catenin transactivating complex
Degradation of beta-catenin by the destruction complex
Depolymerisation of the Nuclear Lamina
disassembly of the destruction complex and recruitment of AXIN to the membrane
Disinhibition of SNARE formation
Downregulation of ERBB2:ERBB3 signaling
Downstream TCR signaling
Effects of PIP2 hydrolysis
eNOS activation
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
ERK/MAPK targets
FCERI mediated NF-kB activation
G alpha (12/13) signalling events
G alpha (z) signalling events
G beta:gamma signalling through PI3Kgamma
Gastrin-CREB signalling pathway via PKC and MAPK
GPVI-mediated activation cascade
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Inhibition of TSC complex formation by PKB
Integrin alphaIIb beta3 signaling
Interferon gamma signaling
KSRP destabilizes mRNA
misspliced GSK3beta mutants stabilize beta-catenin
NCAM signaling for neurite out-growth
Negative regulation of the PI3K/AKT network
Netrin-1 signaling
PDE3B signalling
PIP3 activates AKT signaling
Recycling pathway of L1
Regulation of HSF1-mediated heat shock response
Response to elevated platelet cytosolic Ca2+
Role of DCC in regulating apoptosis
Role of phospholipids in phagocytosis
RSK activation
S33 mutants of beta-catenin aren't phosphorylated
S37 mutants of beta-catenin aren't phosphorylated
S45 mutants of beta-catenin aren't phosphorylated
Sema4D induced cell migration and growth-cone collapse
Senescence-Associated Secretory Phenotype (SASP)
T41 mutants of beta-catenin aren't phosphorylated
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
Trafficking of GluR2-containing AMPA receptors
Translocation of GLUT4 to the plasma membrane
truncations of AMER1 destabilize the destruction complex
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation
VEGFR2 mediated vascular permeability
WNT5A-dependent internalization of FZD4

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

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