Details of the Drug

General Information of Drug (ID: DM2EMCW)

• Drug Name: Antimycin A
• Synonyms: Antimycin A; Antipiricullin; Fintrol; Virosin; Antimycin A1b; antimycin A1; Caswell No. 052B; Antimycin-A; CCRIS 924; HSDB 6417; UNII-75G3NMU1TS; EPA Pesticide Chemical Code 006314; 75G3NMU1TS; CHEMBL211501; CHEBI:22584; 1397-94-0; (2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate; 642-15-9; 116095-18-2; [(2r,3s,6s,7r,8r)-3-[(3-Formamido-2-Oxidanyl-Phenyl)carbonylamino]-8-Hexyl-2,6-Dimethyl-4,9-Bis(Oxidanylidene)-1,5-Dioxonan-7-Yl] 3-Methylbutanoate

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 548.6
  Logarithm of the Partition Coefficient (xlogp); 5.3
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C28H40N2O9
  IUPAC Name: [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
  Canonical SMILES: CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
  InChI: InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1
  InChIKey: UIFFUZWRFRDZJC-SBOOETFBSA-N
• Cross-matching ID:
  PubChem CID: 14957
  ChEBI ID: CHEBI:22584
  CAS Number: 1397-94-0
  TTD ID: D04LBT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]

References

• [1] Effects of atovaquone and other inhibitors on Pneumocystis carinii dihydroorotate dehydrogenase. Antimicrob Agents Chemother. 1995 Feb;39(2):325-8.