Details of the Drug

General Information of Drug (ID: DMPVNDK)

• Drug Name: Distamycin A
• Synonyms: distamycin a; Stallimycin; Distamycin; Herperetin; 636-47-5; DST-A; UNII-80O63P88IS; NSC82150; FI 6426; CHEMBL11252; 80O63P88IS; NCGC00018292-04; NSC 150528; Stallimycinum; Stallimycine; Estalimicina; Stallimicina; Distamicina A; DISTAMYCIN HYDROCHLORIDE; NSC150528; Dst-3; AC1Q5M1Q; AC1L1F7B; DSSTox_RID_81018; DSSTox_CID_25637; DSSTox_GSID_45637; DISTAMYCIN; STALLIMYCIN; SCHEMBL108585; DTXSID9045637; cid_6602691; UPBAOYRENQEPJO-UHFFFAOYSA-N; ZINC3872327; Tox21_110857; 6576-51-8 (mono-hydrochloride); NSC-82150; CCG-36393; BDBM50055659

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); 481.5
  Logarithm of the Partition Coefficient (xlogp); -1.8
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H27N9O4
  IUPAC Name: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide
  Canonical SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC=O
  InChI: InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
  InChIKey: UPBAOYRENQEPJO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3115
  CAS Number: 636-47-5
  TTD ID: D0BS6Q

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid minor groove (hDNA min)	TTOVXHF	NOUNIPROTAC	Binder (minor groove binder)	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Diamine acetyltransferase 1 (SAT1)	OT52AU22	SAT1_HUMAN	Gene/Protein Processing	[2]
Dihydrofolate reductase (DHFR)	OT3DVIGM	DYR_HUMAN	Gene/Protein Processing	[2]
Thymidylate synthase	OTXTG0C7	TYSY_HUMAN	Gene/Protein Processing	[2]

References

• [1] Development of distamycin-related DNA binding anticancer drugs. Expert Opin Investig Drugs. 2001 Sep;10(9):1703-14.
• [2] Distamycin A and derivatives as synergic drugs in cisplatin-sensitive and -resistant ovarian cancer cells. Amino Acids. 2012 Feb;42(2-3):641-53.