Details of the Drug

General Information of Drug (ID: DMXP276)

Drug Name

Hemi-Babim

Synonyms

HEMI-BABIM; CHEMBL46148; (5-amidino-2-benzimidazolyl)(2-benzimidazolyl)methane; 1c1r; 1c1u; AC1L1B4Q; APD-1; SCHEMBL6163820; CTK7D1925; BDBM16303; ZINC2047318; DB01767; 2-(1H-Benzoimidazole-2-ylmethyl)-6-amidino-1H-benzoimidazole; 2-(1H-benzimidazol-2-ylmethyl)-1H-benzimidazole-5-carboximidamide; 2-(1H-benzimidazol-2-ylmethyl)-3H-benzimidazole-5-carboximidamide; 2-(1H-benzimidazol-2-ylmethyl)-1H-benzimidazole-6-carboximidamide

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

290.32

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H14N6
IUPAC Name: 2-(1H-benzimidazol-2-ylmethyl)-3H-benzimidazole-5-carboximidamide
Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)CC3=NC4=C(N3)C=C(C=C4)C(=N)N
InChI: InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
InChIKey: KKJYVDXDZURHMA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1282
DrugBank ID: DB01767
TTD ID: D02KKL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.