Details of the Drug

General Information of Drug (ID: DM5GILS)

Drug Name

Sri-9439

Synonyms

SRI-9439; CHEMBL151958; 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE; 5-methyl-6-[(quinolin-5-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine; AC1L9K2A; BDBM50107995; ZINC12503486; DB03351; 5-methyl-6-[(5-quinolylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine; 5-Methyl-6-(quinolin-5-ylaminomethyl)-pyrido[2,3-d]pyrimidine-2,4-diamine; 2,4-Diamino-5-methylpyrido[2,3-d]pyrimidine, 6-[(5-quinolylamino]methyl)-

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)

331.4

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C18H17N7
IUPAC Name: 5-methyl-6-[(quinolin-5-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Canonical SMILES: CC1=C2C(=NC(=NC2=NC=C1CNC3=CC=CC4=C3C=CC=N4)N)N
InChI: InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25)
InChIKey: KMSATRJZEXNGDP-UHFFFAOYSA-N