U-50488 METHANE SULFONATE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key VQLPLYSROCPWFF-QZTJIDSGSA-N
Smile CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1
InChI
InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H30Cl2N2O4S
Molecular Weight 465.44
AlogP 4.4
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 23.55
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
1240 - - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
1-631 0-370 - 0-1298 50-95
Membrane receptor
1-631 0-370 - 0-1298 50-95

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis 1 D010003 ClinicalTrials

Cross References

Resources Reference
ChEBI 73358
ChEMBL CHEMBL441765
Guide to Pharmacology 1652
SureChEMBL SCHEMBL332193
ZINC ZINC000000643032
ChEMBL CHEMBL482811
SureChEMBL SCHEMBL548872
CONTENTS