Details of the Drug

General Information of Drug (ID: DME1ZAH)

Drug Name
MK-1496
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 236.35
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H24N2O
IUPAC Name
(1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol
Canonical SMILES
C[C@@H](C1=CC=C(C=C1)[C@@H](CNC(C)(C)C)O)N
InChI
InChI=1S/C14H24N2O/c1-10(15)11-5-7-12(8-6-11)13(17)9-16-14(2,3)4/h5-8,10,13,16-17H,9,15H2,1-4H3/t10-,13+/m0/s1
InChIKey
KUHBBYPXWKYKKR-GXFFZTMASA-N
Cross-matching ID
PubChem CID
67313626
CAS Number
1037254-47-9
UNII
CS17H9370C
DrugBank ID
DB12763
TTD ID
D05RGV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Polo-like kinase 1 (PLK1) TTIYVQP PLK1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Polo-like kinase 1 (PLK1) DTT PLK1 4.16E-07 -0.38 -0.72
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00880568) Phase I Study of MK-1496 in Patients With Advanced Solid Tumor (MK-1496-002 AM 4)(COMPLETED). U.S. National Institutes of Health.
2 J Clin Oncol 29: 2011 (suppl; abstr 3012).