General
Preferred name
WORTMANNIN
Synonyms
KY-12420 ()
SL-2052 ()
Wortmannin (KY 12420) ()
SL-2052, BRN 0067676, NSC 627609 ()
P&D ID
PD004827
CAS
19545-26-7
Tags
covalent binder
drug candidate
nuisance
natural product
available
Drug indication
Haematological malignancy
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Wortmannin is extracted from Penicillium funiculosum. The compound is a specific, covalent inhibitor of phosphoinositide 3-kinases (PI3Ks).
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
3
Compound Sets
20
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
CovalentInDB
Drug Repurposing Hub
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Nuisance compounds in cellular assays
Reference compounds for characterizing cellular injury in high-content cellular morphology assays
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Molecular Weight
428.15
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
5
Aromatic Ring Count
1
cLogP
2.54
TPSA
109.11
Fraction CSP3
0.57
Chiral centers
5.0
Largest ring
6.0
QED
0.68
Structural alerts
1
Nonspecific kinase inhibiton
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
PI3K/Akt/mTOR
DNA Damage/DNA Repair
PI3K/Akt/mTOR signaling
Anti-infection
Autophagy
Cell Cycle/DNA Damage
Target
PI3K , DNA-PK , ATM , MLCK , ATR
PI4KA, PI4KB, PIK3CA, PIK3CD, PIK3CG, PIK3R1, PLK1, PRKDC
antibiotic
PI3K
Polo-like Kinase (PLK)
ATM/ATR,Autophagy,Autophagy,DNA-PK,PI3K,PLK
MOA
PI3K inhibitor
Cellular injury category
Kinase
Source data
