Details of the Drug

General Information of Drug (ID: DML3M0O)

Drug Name
TAK-701
Synonyms SCHEMBL131582
Indication
Disease Entry ICD 11 Status REF
Advanced malignancy 2A00-2F9Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 380.5
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C18H16N6S2
IUPAC Name
(Z,2Z)-4-amino-2-[amino-(2-aminophenyl)sulfanylmethylidene]-4-(2-aminophenyl)sulfanyl-3-isocyanobut-3-enenitrile
Canonical SMILES
[C-]#[N+]/C(=C(/N)\\SC1=CC=CC=C1N)/C(=C(\\N)/SC2=CC=CC=C2N)/C#N
InChI
InChI=1S/C18H16N6S2/c1-24-16(18(23)26-15-9-5-3-7-13(15)21)11(10-19)17(22)25-14-8-4-2-6-12(14)20/h2-9H,20-23H2/b17-11+,18-16-
InChIKey
OSXOBXXOVNWNOP-UNEKJRSWSA-N
Cross-matching ID
PubChem CID
16760691
TTD ID
D0H9HT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hepatocyte growth factor (HGF) TT4V2JM HGF_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Advanced malignancy
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Hepatocyte growth factor (HGF) DTT HGF 4.90E-01 0.13 2.73
Hepatocyte growth factor (HGF) DTT HGF 1.98E-07 1.58 2.92
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00831896) Phase I Study of TAK-701 in Adult Patients With Advanced Nonhematological Malignancies. U.S. National Institutes of Health.
2 Targeting MET in cancer: rationale and progress.Nat Rev Cancer.2012 Jan 24;12(2):89-103.