Details of the Drug

General Information of Drug (ID: DM9JECY)

• Drug Name: METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID
• Synonyms: METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID; CHEMBL11306; PLH; (n-(2-hydroxamatemethylene-4-methyl-pentoyl)phenylalanyl)methyl amine; 1mnc; 3-BMMHMH; AC1Q5QCC; AC1L4YVK; (2r)-n4-hydroxy-n1-[(2s)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)butanediamide; SCHEMBL5502507; PNU-99533; BDBM50031795; DB08403; 108383-58-0; (R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methylcarbamoyl-2-phenyl-ethyl)-succinamide; 3-((Benzyl)(methylaminocarbonyl)methylaminocarbonyl)N-hydroxy-5-methylhexanamide

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 349.4
  Logarithm of the Partition Coefficient (xlogp); 0.8
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H27N3O4
  IUPAC Name: (2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)butanediamide
  Canonical SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC
  InChI: InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
  InChIKey: MOPRTFSMCQNUCT-CABCVRRESA-N
• Cross-matching ID:
  PubChem CID: 194777
  ChEBI ID: CHEMBL11306
  CAS Number: 108383-58-0
  DrugBank ID: DB08403
  TTD ID: D0R2BO
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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]
Matrix metalloproteinase-8 (MMP-8)	TTGA1IV	MMP8_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.