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) 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.