Details of the Drug

General Information of Drug (ID: DMY59KQ)

Drug Name

Nitracrine

Synonyms

4533-39-5; Nitracrine [INN]; Nitracrinum [INN-Latin]; Nitracrina [INN-Spanish]; UNII-712MLZ30SB; CCRIS 1973; 712MLZ30SB; 1-Nitro-9-(dimethylaminopropylamino)acridine; C18H20N4O2; 1-Nitro-9-(3'-dimethylaminopropylamino)-acridine; 9-((3-(Dimethylamino)propyl)amino)-1-nitroacridine; Nitracrinum; Nitracrina; N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine; ACRIDINE, 9-(3-(DIMETHYLAMINO)PROPYLAMINO)-1-NITRO-; 1,3-Propanediamine, N,N-dimethyl-N'-

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)

324.4

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C18H20N4O2
IUPAC Name: N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine
Canonical SMILES: CN(C)CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C18H20N4O2/c1-21(2)12-6-11-19-18-13-7-3-4-8-14(13)20-15-9-5-10-16(17(15)18)22(23)24/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,20)
InChIKey: YMVWGSQGCWCDGW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 20628
ChEBI ID: CHEBI:135384
CAS Number: 4533-39-5
TTD ID: D08ATQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Breaker	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Crosslinking of cellular DNA by nitracrine and furocoumarin derivatives. Neoplasma. 1999;46(1):50-3.