Details of the Drug

General Information of Drug (ID: DMOP5AJ)

Drug Name

9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE

Synonyms

9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE; I40; N-[(3-iodophenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine; 1qon; AC1L9LOA; SCHEMBL3361969; DB07940

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)

414.3

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H19IN2
IUPAC Name: N-[(3-iodophenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
Canonical SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)NCC4=CC(=CC=C4)I
InChI: InChI=1S/C20H19IN2/c21-15-7-5-6-14(12-15)13-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,22,23)
InChIKey: ZUCWQTWGZGIYPV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 448167
DrugBank ID: DB07940
TTD ID: D0RO8V

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.