Details of the Drug

General Information of Drug (ID: DMOW2QS)

• Drug Name: Netropsin
• Synonyms: Netropsin; Antibiotic 1142; Congocidine; Antibiotic T-1384; UNII-64B3O0RD7N; CHEMBL307767; 64B3O0RD7N; NSC 3067; CH-777-A; IA 887; BRN 0376913; K-117; 2814-A; T 1384; N,4'-Bi(pyrrole-2-carboxamide), N'-(2-carbamoylethyl)-4-((2-guanidinoacetimidoyl)amino)-1,1'-dimethyl-; F 6; 1H-Pyrrole-2-carboxamide, 4-((((aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-; BDBM17; AC1L1I7V; AC1Q5M1N; SCHEMBL197747; CTK8G1803; IDBIFFKSXLYUOT-UHFFFAOYSA-N; 63770-20-7 (hydrochloride

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 430.5
  Logarithm of the Partition Coefficient (xlogp); -3.1
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 7
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H26N10O3
  IUPAC Name: N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide
  Canonical SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CN=C(N)N
  InChI: InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)
  InChIKey: IDBIFFKSXLYUOT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4461
  CAS Number: 1438-30-8
  TTD ID: D05ZVR

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]

References

• [1] Drug-DNA binding specificity: binding of netropsin and distamycin to poly(d2NH2A-dT). Biopolymers. 1990;30(1-2):223-7.