Details of the Drug

General Information of Drug (ID: DMJ6U4H)

• Drug Name: N-(Ethylphosphoryl)-L-isoleucyl-L-Trp-NHCH3
• Synonyms: CHEMBL1160624

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 437.4
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C20H30N4O5P-
  IUPAC Name: ethoxy-[[(2S,3S)-1-[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]phosphinate
  Canonical SMILES: CC[C@H](C)[C@@H](C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC)NP(=O)([O-])OCC
  InChI: InChI=1S/C20H31N4O5P/c1-5-13(3)18(24-30(27,28)29-6-2)20(26)23-17(19(25)21-4)11-14-12-22-16-10-8-7-9-15(14)16/h7-10,12-13,17-18,22H,5-6,11H2,1-4H3,(H,21,25)(H,23,26)(H2,24,27,28)/p-1/t13-,17?,18-/m0/s1
  InChIKey: IHAZHCJWGLQJQS-VCMPKCBFSA-M
• Cross-matching ID:
  PubChem CID: 44324667
  TTD ID: D0L7AY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-1 (MMP-1)	TTMX39J	MMP1_HUMAN	Inhibitor	[1]

References

• [1] Phosphoramidate peptide inhibitors of human skin fibroblast collagenase. J Med Chem. 1990 Jan;33(1):263-73.