Details of the Drug

General Information of Drug (ID: DMACTDZ)

Drug Name

6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE

Synonyms

6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE; N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine; 444722-81-0; 1h1r; AC1L1IG7; CHEMBL341273; SCHEMBL6790651; BDBM5531; CTK1D2420; DTXSID10274437; O6-Cyclohexylmethylguanine deriv. 15; DB07203; 2-(3 -Chloroanilino)-6-cyclohexylmethoxypurine; N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-9H-purin-2-amine; N-(3-Chlorophenyl)-6-(cyclohexylmethoxy)-9H-purine-2-amine; 1H-Purin-2-amine, N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-

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): 1

Molecular Weight (mw)

357.8

Logarithm of the Partition Coefficient (xlogp)

5.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C18H20ClN5O
IUPAC Name: N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine
Canonical SMILES: C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC(=CC=C4)Cl
InChI: InChI=1S/C18H20ClN5O/c19-13-7-4-8-14(9-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,20,21,22,23,24)
InChIKey: OUEGMEMDEAOAEG-UHFFFAOYSA-N