Details of the Drug

General Information of Drug (ID: DMDFYJR)

Drug Name

2-(2-Aminoethyl)anthra[1,9-cd]pyrazol-6(2H)-one

Synonyms

CHEMBL1163331

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)

263.29

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H13N3O
IUPAC Name: 14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
Canonical SMILES: C1=CC=C2C(=C1)C3=NN(C4=CC=CC(=C43)C2=O)CCN
InChI: InChI=1S/C16H13N3O/c17-8-9-19-13-7-3-6-12-14(13)15(18-19)10-4-1-2-5-11(10)16(12)20/h1-7H,8-9,17H2
InChIKey: BELLEOUYTCSNAZ-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	Design, synthesis and biological evaluation of a novel series of anthrapyrazoles linked with netropsin-like oligopyrrole carboxamides as anticancer... Bioorg Med Chem. 2010 Jun 1;18(11):3974-84.