Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL24973

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Fc1cc(Sc2ccc3c(c2)CC/C3=N\OCc2ccncc2)cc(C2CCOCC2)c1

Basic Information

ChEMBL ID CHEMBL24973
Phase Preclinical
Structure Type MOL
InChI Key NYYSBEQIPWZUMY-PBBVDAKRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
6.13
ALogP
5
HBA
0
HBD
43.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25FN2O2S
MW 448.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 90.0 nM 7.05 In vitro inhibitory activity against LTB4 synthesis in A-23187 stimulated human ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00578-H Homo sapiens 1
- 10.1016/0960-894X(95)00578-H No relevant target 1

Data from ChEMBL 36 via Core Engine