Details of the Drug

General Information of Drug (ID: DMW0Y92)

Drug Name

1-Benzyl-1H-indole-5-carboxamidine

Synonyms

CHEMBL101343; 1-Benzyl-1H-indole-5-carboxamidine; BDBM50027286

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)

249.31

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C16H15N3
IUPAC Name: 1-benzylindole-5-carboximidamide
Canonical SMILES: C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)C(=N)N
InChI: InChI=1S/C16H15N3/c17-16(18)14-6-7-15-13(10-14)8-9-19(15)11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,17,18)
InChIKey: LHXHNJWJHADGSJ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Aromatic amidines: comparison of their ability to block respiratory syncytial virus induced cell fusion and to inhibit plasmin, urokinase, thrombin... J Med Chem. 1983 Feb;26(2):294-8.