Details of the Drug

General Information of Drug (ID: DMF5KNO)

Drug Name
OTSSP167
Synonyms OTSSP 167; OTSSP-167; AMX10201
Indication
Disease Entry ICD 11 Status REF
Acute lymphoblastic leukaemia 2A85 Phase 1 [1]
Acute myeloid leukaemia 2A60 Phase 1 [1]
Breast cancer 2C60-2C65 Phase 1 [1]
Chronic lymphocytic leukaemia 2A82.0 Phase 1 [1]
Myelodysplastic syndrome 2A37 Phase 1 [1]
Myeloproliferative neoplasm 2A20 Phase 1 [1]
⏷ Show the Full List of Indication(s)
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 487.4
Logarithm of the Partition Coefficient (xlogp) 5.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C25H28Cl2N4O2
IUPAC Name
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone
Canonical SMILES
CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl
InChI
InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)
InChIKey
DKZYXHCYPUVGAF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135398499
ChEBI ID
CHEBI:95088
CAS Number
1431697-89-0
TTD ID
D08FIX
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Maternal embryonic leucine zipper kinase (MELK) TT5MN2U MELK_HUMAN Inhibitor [1]
Tyrosine-protein kinase MELK (MELK) TTBZOTY MELK_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Development of an orally-administrative MELK-targeting inhibitor that suppresses the growth of various types of human cancer. Oncotarget. 2012 Dec;3(12):1629-40.