Details of the Drug

General Information of Drug (ID: DMNCGOP)

Drug Name

A-74932

Synonyms

A-74932; A 74932; 3H-Pyrido(3,2,1-kl)phenoxazine-2-carboxylic acid, 6-(2-((2-amino-1-oxopentyl)amino)-1-pyrrolidinyl)-5-fluoro-3-oxo-, monohydrochloride; 3H-Pyrido(3,2,1-k1)phenoxazine-2-carboxylic acid, 6-(2-((2-amino-1-oxopentyl)amino)-1-pyrrolidinyl)-5-fluoro-3-oxo-, monohydrochloride; AC1L31MU; 148201-60-9

Indication

Disease Entry	ICD 11	Status	REF
Lung cancer	2C25.0	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

516.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C25H26ClFN4O5
IUPAC Name: 10-[2-(2-aminopentanoylamino)pyrrolidin-1-yl]-11-fluoro-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxylic acid;hydrochloride
Canonical SMILES: CCCC(C(=O)NC1CCCN1C2=C(C=C3C4=C2OC5=CC=CC=C5N4C=C(C3=O)C(=O)O)F)N.Cl
InChI: InChI=1S/C25H25FN4O5.ClH/c1-2-6-16(27)24(32)28-19-9-5-10-29(19)21-15(26)11-13-20-23(21)35-18-8-4-3-7-17(18)30(20)12-14(22(13)31)25(33)34;/h3-4,7-8,11-12,16,19H,2,5-6,9-10,27H2,1H3,(H,28,32)(H,33,34);1H
InChIKey: UFBYBJURMXBKFU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 132825
CAS Number: 148201-60-9
TTD ID: D08IHF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase II (TOP2)	TT0IHXV	TOP2A_HUMAN ; TOP2B_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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 800003878)
2	Use of catalytic topoisomerase II inhibitors to probe mechanisms of chemical-induced clastogenicity in Chinese hamster V79 cells. Environ Mol Mutagen. 2000;35(1):13-21.