Details of the Drug

General Information of Drug (ID: DM69YWS)

• Drug Name: CGP-40215A
• Synonyms: Cgp-40215A; Cgp 40215A; Bis((3-(aminoiminomethyl)phenyl)methylene)carbonimidic dihydrazide trihydrochloride; Carbonimidic dihydrazide, bis((3-(aminoiminomethyl)phenyl)methylene)-, trihydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Pneumocystis pneumonia	CA40.20	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 458.8
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 7
  Hydrogen Bond Donor Count; 9
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C17H22Cl3N9
  IUPAC Name: 3-[(E)-[[(E)-N'-[(E)-(3-carbamimidoylphenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]benzenecarboximidamide;trihydrochloride
  Canonical SMILES: C1=CC(=CC(=C1)C(=N)N)/C=N/N/C(=N/N=C/C2=CC(=CC=C2)C(=N)N)/N.Cl.Cl.Cl
  InChI: InChI=1S/C17H19N9.3ClH/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21;;;/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26);3*1H/b23-9+,24-10+
  InChIKey: OTMBXWAKBWGKPN-VOTJPXFPSA-N
• Cross-matching ID:
  PubChem CID: 9576797
  CAS Number: 126534-93-8
  TTD ID: D0S6VX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
S-adenosylmethionine decarboxylase proenzyme (AMD1)	TTBFROQ	DCAM_HUMAN	Modulator	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Pneumocystis pneumonia
• ICD Disease Classification: CA40.20

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
S-adenosylmethionine decarboxylase proenzyme (AMD1)	DTT	AMD1	4.41E-05	0.37	0.61

References

• [1] Antileishmanial effect of a potent S-adenosylmethionine decarboxylase inhibitor: CGP 40215A. Pharmacol Res. 1996 Jan;33(1):67-70.