Details of the Drug

General Information of Drug (ID: DMGMD1K)

Drug Name

9-N-Phenylmethylamino-Tacrine

Synonyms

9-N-PHENYLMETHYLAMINO-TACRINE; N-benzyl-1,2,3,4-tetrahydroacridin-9-amine; 9-(3-phenylmethylamino)-1,2,3,4-tetrahydroacridine; AC1L1CJU; SCHEMBL3366446; CHEMBL215344; BDBM199182; DB03672; 9-benzylamino-1,2,3,4-tetrahydroacridine; N-Benzyl-1,2,3,4-tetrahydroacridine-9-amine; N-benzyl-1,2,3,4-tetrahydroacridin-9-amine (8a); 9-Acridinamine, 1,2,3,4-tetrahydro-N-(phenylmethyl)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

288.4

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H20N2
IUPAC Name: N-benzyl-1,2,3,4-tetrahydroacridin-9-amine
Canonical SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)NCC4=CC=CC=C4
InChI: InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22)
InChIKey: JYJAEHAURXXPSD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1933
DrugBank ID: DB03672
TTD ID: D0RW1Y

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]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.