Details of the Drug

General Information of Drug (ID: DMDIQ7H)

Drug Name

3-(9-Acridinylamino)-5-(hydroxymethyl)aniline (AHMA)

Synonyms

CHEMBL321473; NSC666097; 3-(9-acridinylamino)-5-(hydroxymethyl)aniline; 154310-42-6; [3-(acridin-9-ylamino)-5-aminophenyl]methanol; AC1Q7C6S; AC1L8FG4; SCHEMBL1865418; CTK0E7866; DTXSID30327555; GZHHMAFXYHPHBO-UHFFFAOYSA-N; ZINC3799478; AKOS030584742; NCI60_022917; 3-(9-acridinylamino)-5-hydroxymethylaniline; 3-(acridin-9-yl)amino-5-hydroxymethylaniline; Benzenemethanol, 3-(9-acridinylamino)-5-amino-; [3-(acridin-9-ylamino)-5-amino-phenyl]methanol

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)

315.4

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H17N3O
IUPAC Name: [3-(acridin-9-ylamino)-5-aminophenyl]methanol
Canonical SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)N)CO
InChI: InChI=1S/C20H17N3O/c21-14-9-13(12-24)10-15(11-14)22-20-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)20/h1-11,24H,12,21H2,(H,22,23)
InChIKey: GZHHMAFXYHPHBO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 380482
CAS Number: 154310-42-6
TTD ID: D0NW9G

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase (TOP)	TT2GPK3	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Crystallization and preliminary X-ray analysis of anti-cancer agent 3-(9-acridinylamino)-5-(hydroxymethyl)aniline complexed with the DNA hexamer d(CGTACG)2. Biochim Biophys Acta. 2003 Jan 3;1625(1):27-9.