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]
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
PubChem CID
53258905
CAS Number
1005504-62-0
UNII
KSV93L7URW
DrugBank ID
DB16938
TTD ID
D0KV6C

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 2011 Pipeline of Repligen.