Details of the Drug

General Information of Drug (ID: DMOWHER)

Drug Name

TACRINE(8)-4-AMINOQUINOLINE

Synonyms

TACRINE(8)-4-AMINOQUINOLINE; CHEMBL1082738; A8B; N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine; AC1LCVTY; BDBM9441; SCHEMBL20553457; DB04616; Heterodimeric Tacrine-Based Inhibitor 8g; N-(1,2,3,4-Tetrahydroacridine-9-yl)-N'-(4-quinolyl)-1,8-octanediamine; N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]quinolin-4-amine trihydrochloride; N-4-Quinolyl-N-9-(1,2,3,4-tetrahydroacridinyl)-1,8-diaminooctane Hydrochloride Salt; N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDRO-ACRIDINYL)-1,8-DIAMINOOCTANE DIHY

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): 2

Molecular Weight (mw)

452.6

Logarithm of the Partition Coefficient (xlogp)

7.9

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C30H36N4
IUPAC Name: N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
Canonical SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCCCCNC4=CC=NC5=CC=CC=C54
InChI: InChI=1S/C30H36N4/c1(3-11-20-31-27-19-22-32-26-16-8-5-13-23(26)27)2-4-12-21-33-30-24-14-6-9-17-28(24)34-29-18-10-7-15-25(29)30/h5-6,8-9,13-14,16-17,19,22H,1-4,7,10-12,15,18,20-21H2,(H,31,32)(H,33,34)
InChIKey: UNVOAAWEEGAXTN-UHFFFAOYSA-N