Details of the Drug

General Information of Drug (ID: DM8AGOE)

• Drug Name: BABIM
• Synonyms: BABIM; Bis(5-amidino-2-benzimidazolyl)methane; 74733-75-8; CHEMBL99951; 1H-Benzimidazole-5-carboximidamide, 2,2'-methylenebis-; 1xug; 1c1v; AC1L1DKB; SCHEMBL65730; AC1Q1U90; CTK5E0415; BDBM16127; DTXSID60225717; AIDS007118; ZINC3871731; AKOS028112598; Bis(5-amidino-1H-benzimidazole-2-yl)methane; 1H-Benzimidazole-6-carboximidamide,2,2'-methylenebis-; 2,2 -methanediylbis(1H-benzimidazole-6-carboximidamide); 2-[(5-carbamimidoyl-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole-5-carboxamidine

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 332.4
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H16N8
  IUPAC Name: 2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)methyl]-3H-benzimidazole-5-carboximidamide
  Canonical SMILES: C1=CC2=C(C=C1C(=N)N)NC(=N2)CC3=NC4=C(N3)C=C(C=C4)C(=N)N
  InChI: InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)
  InChIKey: QZKOOEFIMWKZPK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2387
  ChEBI ID: CHEMBL99951
  CAS Number: 74733-75-8
  TTD ID: D02INZ
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tryptase alpha/beta-1 (Tryptase)	TTM1TDX	TRYB1_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 12 Disease of the respiratory system
• Disease Class: ICD-11: CA23 Asthma
• The Studied Tissue: Nasal and bronchial airway
• The Studied Disease: Asthma [ICD-11:CA23]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tryptase alpha/beta-1 (Tryptase)	DTT	TPSAB1	3.09E-07	1.07	0.89

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010022)
• [2] Inhibitors of tryptase for the treatment of mast cell-mediated diseases. Curr Pharm Des. 1998 Oct;4(5):381-96.