Details of the Drug

General Information of Drug (ID: DMCRU4H)

• Drug Name: CYLINDROL A
• Synonyms: CYLINDROL A; CHEMBL318783; BDBM50059845; Propionic acid (E)-(R)-4-(3-formyl-2,6-dihydroxy-4-methyl-phenyl)-2-methyl-1-((1S,2R,6R)-1,2,6-trimethyl-3-oxo-cyclohexylmethyl)-but-2-enyl ester

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); 444.6
  Logarithm of the Partition Coefficient (xlogp); 5.5
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C26H36O6
  IUPAC Name: [(E,2R)-5-(3-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl] propanoate
  Canonical SMILES: CCC(=O)O[C@H](C[C@]1([C@@H](CCC(=O)[C@@H]1C)C)C)/C(=C/CC2=C(C=C(C(=C2O)C=O)C)O)/C
  InChI: InChI=1S/C26H36O6/c1-7-24(30)32-23(13-26(6)17(4)9-11-21(28)18(26)5)15(2)8-10-19-22(29)12-16(3)20(14-27)25(19)31/h8,12,14,17-18,23,29,31H,7,9-11,13H2,1-6H3/b15-8+/t17-,18+,23-,26+/m1/s1
  InChIKey: VLFRJRBSRCFKPU-AXNCTASFSA-N
• Cross-matching ID:
  PubChem CID: 10456134
  TTD ID: D04ETB

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	[1]

References

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