Details of the Drug

General Information of Drug (ID: DMOW9X2)

Drug Name
KRP-203
Synonyms KNF-299; KRP-203-P prodrug, Kyorin
Indication
Disease Entry ICD 11 Status REF
Cutaneous lupus erythematosus EB5Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 480.4
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 10
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C24H27Cl2NO3S
IUPAC Name
2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol;hydrochloride
Canonical SMILES
C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)N)Cl.Cl
InChI
InChI=1S/C24H26ClNO3S.ClH/c25-23-14-22(10-9-19(23)11-12-24(26,16-27)17-28)30-21-8-4-7-20(13-21)29-15-18-5-2-1-3-6-18;/h1-10,13-14,27-28H,11-12,15-17,26H2;1H
InChIKey
MYIFLDFUXIHOCJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11155873
CAS Number
509088-69-1
TTD ID
D0Y5ZT
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sphingosine-1-phosphate receptor 1 (S1PR1) TT9JZCK S1PR1_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01294774) Safety and Efficacy of KRP203 in Subacute Cutaneous Lupus Erythematosus. U.S. National Institutes of Health.
2 Targeting the sphingosine-1-phosphate axis in cancer, inflammation and beyond. Nat Rev Drug Discov. 2013 Sep;12(9):688-702.