Details of the Drug

General Information of Drug (ID: DM8GC65)

Drug Name

RG3039

Indication

Disease Entry	ICD 11	Status	REF
Spinal muscular atrophy	8B61	Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

432.3

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C21H23Cl2N5O
IUPAC Name: 5-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
Canonical SMILES: C1CN(CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)CC4=C(C=CC=C4Cl)Cl
InChI: InChI=1S/C21H23Cl2N5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27)
InChIKey: MNLHFGXIUJNDAF-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Scavenger decapping enzyme DcpS (DCPS)	TTLSW9V	DCPS_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	2011 Pipeline of Repligen.