Details of the Drug

General Information of Drug (ID: DM1UIQP)

Drug Name
SAFIRONIL
Synonyms Hoe-277; Safironil; N,N'-Bis(3-methoxypropyl)pyridine-2,4-dicarboxamide
Indication
Disease Entry ICD 11 Status REF
Transplant rejection NE84 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 309.36
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H23N3O4
IUPAC Name
2-N,4-N-bis(3-methoxypropyl)pyridine-2,4-dicarboxamide
Canonical SMILES
COCCCNC(=O)C1=CC(=NC=C1)C(=O)NCCCOC
InChI
InChI=1S/C15H23N3O4/c1-21-9-3-6-17-14(19)12-5-8-16-13(11-12)15(20)18-7-4-10-22-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKey
HLSXICGBWKECLM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65973
CAS Number
134377-69-8
TTD ID
D0P2BD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prolyl 4-hydroxylasesubunit alpha-1 (P4HA1) TTNH25W P4HA1_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Antifibrogenic therapies in chronic HCV infection. Curr Drug Targets Infect Disord. 2001 Aug;1(2):227-40.