Details of the Drug

General Information of Drug (ID: DMX1POR)

Drug Name

MYOSEVERIN

Synonyms

myoseverin; 267402-71-1; 9-Isopropyl-N2,N6-bis-(4-methoxybenzyl)-9H-purine-2,6-diamine; 9-Isopropyl-N2,N6-bis(4-methoxybenzyl)-9H-purine-2,6-diamine; AC1L1HSM; AC1Q4VJQ; 9-Isopropyl-2,6-bis(4-methoxybenzylamino)purine; CHEMBL141689; SCHEMBL13325947; CTK8E8888; MolPort-003-958-703; HMS2043N15; KS-000012SJ; ZINC2583630; n,n'-bis(4-methoxybenzyl)-9-(propan-2-yl)-9h-purine-2,6-diamine; HSCI1_000041; IN1218; AKOS027326433; TRA0035814; SMP2_000092; NCGC00165829-01; ACM267402711; RT-013973; M2373; J-016534

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)

432.5

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C24H28N6O2
IUPAC Name: 2-N,6-N-bis[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine
Canonical SMILES: CC(C)N1C=NC2=C(N=C(N=C21)NCC3=CC=C(C=C3)OC)NCC4=CC=C(C=C4)OC
InChI: InChI=1S/C24H28N6O2/c1-16(2)30-15-27-21-22(25-13-17-5-9-19(31-3)10-6-17)28-24(29-23(21)30)26-14-18-7-11-20(32-4)12-8-18/h5-12,15-16H,13-14H2,1-4H3,(H2,25,26,28,29)
InChIKey: IDCOTQWQVPRTNK-UHFFFAOYSA-N