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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)