Details of the Drug

General Information of Drug (ID: DMEA5BZ)

Drug Name

CGP 40336A

Synonyms

GNF-Pf-5020; CGP40336; AC1LALV6; CHEMBL97338; SCHEMBL8891798; CGP40336A; CGP-40336A; N'-(3-aminopropyl)-N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]butane-1,4-diamine; (4-Aminobutyl)(3-aminopropyl){3-[(6-chloro-2-methyloxyacridin-9-yl)amino]propyl}amine

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): 1

Molecular Weight (mw)

444

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

13

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C24H34ClN5O
IUPAC Name: N'-(3-aminopropyl)-N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]butane-1,4-diamine
Canonical SMILES: COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCCCN)CCCN
InChI: InChI=1S/C24H34ClN5O/c1-31-19-7-9-22-21(17-19)24(20-8-6-18(25)16-23(20)29-22)28-12-5-15-30(14-4-11-27)13-3-2-10-26/h6-9,16-17H,2-5,10-15,26-27H2,1H3,(H,28,29)
InChIKey: BIGAHIIWPDZJMX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 470828
TTD ID: D0X3XE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Tat protein (HIV tat)	TTT3ZC9	TAT_HV1H2	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	RNA as a target for small molecules. Curr Opin Chem Biol. 2000 Dec;4(6):678-86.