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

CHEMBL5747318

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
O=C(O)CN1CCC2(CC1)COc1cc(C3CC3c3c(Cl)cccc3Cl)ccc12

Basic Information

ChEMBL ID CHEMBL5747318
Phase Preclinical
Structure Type MOL
InChI Key UTYPIEPGWJMTNG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
5.08
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.73
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23Cl2NO3
MW 432.35
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.03

Activity Summary

EC50 2 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sphingosine 1-phosphate receptor 5
CHEMBL2274
EC50 7.6 7.6 25.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine