Details of the Drug

General Information of Drug (ID: DMDEJX9)

Drug Name
Reproxalap
Synonyms
2-(3-Amino-6-chloroquinolin-2-yl)propan-2-ol; 2-(3-amino-6-chloroquinolin-2-yl)propan-2-ol; Reproxalap [USAN]; UNII-F0GIZ22IJH; F0GIZ22IJH; SCHEMBL12228833; ALD-102; ADX-102; 2-Quinolinemethanol, 3-amino-6-chloro-alpha,alpha-dimethyl-; NS2
Indication
Disease Entry ICD 11 Status REF
Sjogren-Larsson syndrome 5C52.03 Phase 3 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 236.7
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H13ClN2O
IUPAC Name
2-(3-amino-6-chloroquinolin-2-yl)propan-2-ol
Canonical SMILES
CC(C)(C1=C(C=C2C=C(C=CC2=N1)Cl)N)O
InChI
InChI=1S/C12H13ClN2O/c1-12(2,16)11-9(14)6-7-5-8(13)3-4-10(7)15-11/h3-6,16H,14H2,1-2H3
InChIKey
GUHFUVLKYSQIOQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16088030
CAS Number
916056-79-6
UNII
F0GIZ22IJH
DrugBank ID
DB16688
TTD ID
D0ZG3S

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Malondialdehyde (MDA) TTZEX7Y NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)