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
CHEMBL95088
CAS Number
1431697-89-0
TTD ID
D08FIX
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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.