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]
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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

Cross-matching ID

PubChem CID: 4273
TTD ID: D05MPS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tubulin (TUB)	TTML2WA	NOUNIPROTAC	Inhibitor	[1]
Tubulin beta (TUBB)	TTYFKSZ	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tubulin (TUB)	DTT	NO-GeName	7.94E-02	0.35	0.43

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Synthesis and biological evaluation of myoseverin derivatives: microtubule assembly inhibitors. J Med Chem. 2001 Dec 20;44(26):4497-500.