UCSF

ZINC01619592

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 31 No

Popular Name: Wortmannin Wortmannin

Find On: PubMed — Wikipedia — Google

CAS Number: 19545-26-7

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) 1.84 8.68 -13.81 0 8 0 109 428.437 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.21e-01 g/l DrugBank-experimental
MP 240 °C Fluorochem
Purity >98% Fluorochem
UniProt Database Links ACTN4_HUMAN; ENPP3_HUMAN; MYLK_HUMAN; P3C2A_HUMAN; P3C2A_MOUSE; P3C2A_PONAB; P4KA1_ARATH; P4KB1_ARATH; PI4KA_BOVIN; PI4KA_HUMAN; PI4KA_RAT; PI4KB_BOVIN; PI4KB_CALJA; PI4KB_CALMO; PI4KB_HUMAN; PI4KB_MOUSE; PI4KB_OTOGA; PI4KB_PAPAN; PI4KB_RAT; PI4KB_RHIFE ChEBI
Target PI3K Selleck Chemicals
Reactome Database Links REACT_147854 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTOR-2-E Serine/threonine-protein Kinase MTOR (cluster #2 Of 3), Eukaryotic Eukaryotes 40 0.33 Binding ≤ 10μM
MYLK-1-E Myosin Light Chain Kinase, Smooth Muscle (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.24 Binding ≤ 10μM
P85A-2-E PI3-kinase P85-alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.41 Binding ≤ 10μM
P85B-2-E PI3-kinase P85-beta Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 5 0.37 Binding ≤ 10μM
PK3CA-2-E PI3-kinase P110-alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 5 0.37 Binding ≤ 10μM
PK3CB-2-E PI3-kinase P110-beta Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 5 0.37 Binding ≤ 10μM
PK3CD-2-E PI3-kinase P110-delta Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 9 0.36 Binding ≤ 10μM
PK3CG-3-E PI3-kinase P110-gamma Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 89 0.32 Binding ≤ 10μM
PLK1-1-E Serine/threonine-protein Kinase PLK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.37 Binding ≤ 10μM
PLK3-1-E Serine/threonine-protein Kinase PLK3 (cluster #1 Of 1), Eukaryotic Eukaryotes 49 0.33 Binding ≤ 10μM
PRKDC-1-E DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.31 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 10000 0.23 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 98 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRKDC_HUMAN P78527 DNA-dependent Protein Kinase, Human 120 0.31 Binding ≤ 1μM
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 40 0.33 Binding ≤ 1μM
MYLK_CHICK P11799 Myosin Light Chain Kinase, Smooth Muscle, Chick 260 0.30 Binding ≤ 1μM
MYLK_HUMAN Q15746 Myosin Light Chain Kinase, Smooth Muscle, Human 170 0.31 Binding ≤ 1μM
PK3CA_HUMAN P42336 PI3-kinase P110-alpha Subunit, Human 1 0.41 Binding ≤ 1μM
PK3CB_HUMAN P42338 PI3-kinase P110-beta Subunit, Human 10 0.36 Binding ≤ 1μM
PK3CD_HUMAN O00329 PI3-kinase P110-delta Subunit, Human 4 0.38 Binding ≤ 1μM
PK3CG_HUMAN P48736 PI3-kinase P110-gamma Subunit, Human 19 0.35 Binding ≤ 1μM
P85A_HUMAN P27986 PI3-kinase P85-alpha Subunit, Human 1.2 0.40 Binding ≤ 1μM
P85B_HUMAN O00459 PI3-kinase P85-beta Subunit, Human 4.2 0.38 Binding ≤ 1μM
PLK1_HUMAN P53350 Serine/threonine-protein Kinase PLK1, Human 5.8 0.37 Binding ≤ 1μM
PLK3_HUMAN Q9H4B4 Serine/threonine-protein Kinase PLK3, Human 220 0.30 Binding ≤ 1μM
PRKDC_HUMAN P78527 DNA-dependent Protein Kinase, Human 120 0.31 Binding ≤ 10μM
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 40 0.33 Binding ≤ 10μM
MYLK_CHICK P11799 Myosin Light Chain Kinase, Smooth Muscle, Chick 260 0.30 Binding ≤ 10μM
MYLK_HUMAN Q15746 Myosin Light Chain Kinase, Smooth Muscle, Human 170 0.31 Binding ≤ 10μM
PK3CA_HUMAN P42336 PI3-kinase P110-alpha Subunit, Human 1 0.41 Binding ≤ 10μM
PK3CB_HUMAN P42338 PI3-kinase P110-beta Subunit, Human 10 0.36 Binding ≤ 10μM
PK3CD_HUMAN O00329 PI3-kinase P110-delta Subunit, Human 4 0.38 Binding ≤ 10μM
PK3CG_HUMAN P48736 PI3-kinase P110-gamma Subunit, Human 19 0.35 Binding ≤ 10μM
P85A_HUMAN P27986 PI3-kinase P85-alpha Subunit, Human 1.2 0.40 Binding ≤ 10μM
P85B_HUMAN O00459 PI3-kinase P85-beta Subunit, Human 4.2 0.38 Binding ≤ 10μM
PLK1_HUMAN P53350 Serine/threonine-protein Kinase PLK1, Human 1300 0.27 Binding ≤ 10μM
PLK3_HUMAN Q9H4B4 Serine/threonine-protein Kinase PLK3, Human 220 0.30 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 10000 0.23 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 98 0.32 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Constitutive PI3K/AKT Signaling in Cancer

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of NIMA Kinases NEK9, NEK6, NEK7
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge
APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins
CD28 dependent PI3K/Akt signaling
Condensation of Prophase Chromosomes
Constitutive PI3K/AKT Signaling in Cancer
Costimulation by the CD28 family
Cyclin A/B1 associated events during G2/M transition
Cytosolic sensors of pathogen-associated DNA
DAP12 signaling
Downstream signal transduction
Downstream TCR signaling
G alpha (12/13) signalling events
G alpha (q) signalling events
G beta:gamma signalling through PI3Kgamma
GAB1 signalosome
Golgi Cisternae Pericentriolar Stack Reorganization
GP1b-IX-V activation signalling
GPVI-mediated activation cascade
HSF1-dependent transactivation
Interleukin receptor SHC signaling
Interleukin-3, 5 and GM-CSF signaling
Interleukin-7 signaling
IRF3-mediated induction of type I IFN
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
Mitotic Metaphase/Anaphase Transition
Mitotic Prometaphase
Mitotic Telophase/Cytokinesis
mTOR signalling
Nephrin interactions
Nonhomologous End-joining (NHEJ)
Phosphorylation of Emi1
Phosphorylation of the APC/C
PI-3K cascade
PI3K Cascade
PI3K events in ERBB2 signaling
PI3K events in ERBB4 signaling
PI3K/AKT activation
PIP3 activates AKT signaling
Polo-like kinase mediated events
Processing of DNA ends prior to end rejoining
Recruitment of mitotic centrosome proteins and complexes
Regulation of PLK1 Activity at G2/M Transition
Regulation of signaling by CBL
Release of eIF4E
Resolution of Sister Chromatid Cohesion
Rho GTPase cycle
Role of LAT2/NTAL/LAB on calcium mobilization
Role of phospholipids in phagocytosis
S6K1-mediated signalling
Separation of Sister Chromatids
Signaling by constitutively active EGFR
Signaling by FGFR mutants
Signaling by FGFR1 fusion mutants
Signaling by SCF-KIT
Smooth Muscle Contraction
Synthesis of PIPs at the plasma membrane
Tie2 Signaling
VEGFA-VEGFR2 Pathway
VEGFR2 mediated vascular permeability

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