Details of the Drug

General Information of Drug (ID: DMAUG0L)

• Drug Name: L-739749
• Synonyms: CHEMBL99645; BDBM50059867; (S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methyl-pentyloxy]-3-phenyl-propionylamino}-4-methanesulfonyl-butyric acid methyl ester; (S)-methyl 2-((S)-2-((2S,3R)-2-((R)-2-amino-3-mercaptopropylamino)-3-methylpentyloxy)-3-phenylpropanamido)-4-(methylsulfonyl)butanoate

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 531.7
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 18
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C24H41N3O6S2
  IUPAC Name: methyl (2S)-2-[[(2S)-2-[(2S,3S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentoxy]-3-phenylpropanoyl]amino]-4-methylsulfonylbutanoate
  Canonical SMILES: CC[C@H](C)[C@@H](CO[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)OC)NC[C@H](CS)N
  InChI: InChI=1S/C24H41N3O6S2/c1-5-17(2)21(26-14-19(25)16-34)15-33-22(13-18-9-7-6-8-10-18)23(28)27-20(24(29)32-3)11-12-35(4,30)31/h6-10,17,19-22,26,34H,5,11-16,25H2,1-4H3,(H,27,28)/t17-,19+,20-,21+,22-/m0/s1
  InChIKey: XDPAYLCHZOZGMW-NDYOWHOSSA-N
• Cross-matching ID:
  PubChem CID: 158357
  CAS Number: 156511-34-1
  TTD ID: D09DLN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
CAAX farnesyltransferase beta (FNTB)	TT7WZIJ	FNTB_HUMAN	Inhibitor	[2]

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 800004259)
• [2] Ras farnesyltransferase: a new therapeutic target. J Med Chem. 1997 Sep 12;40(19):2971-90.