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

CHEMBL5403688

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
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)cc1Cl

Basic Information

ChEMBL ID CHEMBL5403688
Phase Preclinical
Structure Type MOL
InChI Key UVBHKULZWFACFT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

712.2
MW (Da)
7.58
ALogP
10
HBA
1
HBD
107.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H31ClFN5O5S
MW 712.20
Aromatic Rings 6
Heavy Atoms 50
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 7.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage-stimulating protein receptor
CHEMBL2689
IC50 7.99 7.99 10.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37736180 10.1021/acsmedchemlett.3c00206 HT-29 1
37736180 10.1021/acsmedchemlett.3c00206 Macrophage-stimulating protein receptor 1
37736180 10.1021/acsmedchemlett.3c00206 KM12C 1
37736180 10.1021/acsmedchemlett.3c00206 SW-620 1

Data from ChEMBL 36 via Core Engine