Details of the Drug

General Information of Drug (ID: DM84KOY)

Drug Name
CT-1746
Indication
Disease Entry ICD 11 Status REF
Colorectal cancer 2B91.Z Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 397.9
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H28ClN3O4
IUPAC Name
(2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N'-hydroxybutanediamide
Canonical SMILES
CC(C)(C)[C@@H](C(=O)N)NC(=O)[C@H](CCCC1=CC=C(C=C1)Cl)CC(=O)NO
InChI
InChI=1S/C19H28ClN3O4/c1-19(2,3)16(17(21)25)22-18(26)13(11-15(24)23-27)6-4-5-12-7-9-14(20)10-8-12/h7-10,13,16,27H,4-6,11H2,1-3H3,(H2,21,25)(H,22,26)(H,23,24)/t13-,16-/m1/s1
InChIKey
CZCIELLKWLGEFJ-CZUORRHYSA-N
Cross-matching ID
PubChem CID
9930721
TTD ID
D0O7DU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Matrix metalloproteinase-9 (MMP-9) TT6X50U MMP9_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 Colorectal cancer
ICD Disease Classification 2B91.Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Matrix metalloproteinase-9 (MMP-9) DTT MMP9 1.12E-10 1.15 3.45
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006498)
2 Conversion of highly malignant colon cancer from an aggressive to a controlled disease by oral administration of a metalloproteinase inhibitor. Clin Exp Metastasis. 1997 Mar;15(2):184-95.