Details of the Drug

General Information of Drug (ID: DMWA5XP)

Drug Name
KU-60019
Synonyms
KU-60019; 925701-49-1; ku60019; 925701-46-8; KU 60019; UNII-IAN358A69K; IAN358A69K; CHEMBL2140173; 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide; C30H33N3O5S; 2-((2S,6R)-2,6-dimethylmorpholino)-N-(5-(6-morpholino-4-oxo-4H-pyran-2-yl)-9H-thioxanthen-2-yl)acetamide; 2-[(2R,6S)-2,6-Dimethylmorpholin-4-yl]-N-{5-[6-(morpholin-4-yl)-4-oxo-4H-pyran-2-yl]-9H-thioxanthen-2-yl}acetamide; MLS006011020; cc-509; SCHEMBL3681453; GTPL8041; EX-A658; DTXSID00580453; AOB3627
Indication
Disease Entry ICD 11 Status REF
Non-small-cell lung cancer 2C25.Y Clinical trial [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 547.7
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C30H33N3O5S
IUPAC Name
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide
Canonical SMILES
C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6
InChI
InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+
InChIKey
SCELLOWTHJGVIC-BGYRXZFFSA-N
Cross-matching ID
PubChem CID
15953870
CAS Number
925701-49-1
TTD ID
D02NUT
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
ATM serine/threonine kinase (ATM) TTKBM7V ATM_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Non-small-cell lung cancer
ICD Disease Classification 2C25.Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
ATM serine/threonine kinase (ATM) DTT ATM 8.10E-01 -0.01 -0.02
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Improved ATM kinase inhibitor KU-60019 radiosensitizes glioma cells, compromises insulin, AKT and ERK prosurvival signaling, and inhibits migration and invasion. Mol Cancer Ther. 2009 Oct;8(10):2894-902.