Details of the Drug

General Information of Drug (ID: DMLKJD9)

Drug Name

9-(4-Hydroxybutyl)-N2-Phenylguanine

Synonyms

9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE; HBPG; CHEMBL406254; BPG; 6H-Purin-6-one, 1,9-dihydro-9-(4-hydroxybutyl)-2-(phenylamino)-; 161363-19-5; 1QHI; AC1L9LM8; SCHEMBL1506775; SCHEMBL17485742; CTK0A9784; BDBM21866; DTXSID00332272; AKOS030558959; N2-Phenyl-9-(4-hydroxybutyl) guanine; DB02495; 9-(4-Hydroxybuthyl)-N2-Phenylguanine; 2-anilino-9-(4-hydroxybutyl)-1H-purin-6-one; 2-anilino-9-(4-hydroxybutyl)-3H-purin-6-one; 9-(4-hydroxybutyl)-2-(phenylamino)-1,9-dihydro-6H-purin-6-one

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): 0

Molecular Weight (mw)

299.33

Logarithm of the Partition Coefficient (xlogp)

0.8

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H17N5O2
IUPAC Name: 2-anilino-9-(4-hydroxybutyl)-1H-purin-6-one
Canonical SMILES: C1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3CCCCO
InChI: InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)
InChIKey: JHBXNPBKSPYOFT-UHFFFAOYSA-N