Structure

InChI Key GKWPCEFFIHSJOE-UHFFFAOYSA-N
Smile CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChI
InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17ClN2O3
Molecular Weight 356.81
AlogP 3.56
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 62.54
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis 3 D009103 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 3 D020529 ClinicalTrials
Crohn Disease 2 D003424 ClinicalTrials
Lupus Nephritis 2 D008181 ClinicalTrials
Multiple Sclerosis, Chronic Progressive 2 D020528 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Huntington Disease 2 D006816 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 248281-84-7
ChEBI 134738
ChEMBL CHEMBL66092
DrugBank DB06685
DrugCentral 4825
EPA CompTox DTXSID30179536
FDA SRS 908SY76S4G
Guide to Pharmacology 7639
PubChem 54677946
SureChEMBL SCHEMBL39440
ZINC ZINC000100004621