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Compound Detail

CHEMBL5865395

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O=C(O)CCN1CCCC2(COc3cc(OCc4c(Cl)cccc4C4CC4)ccc32)C1

Basic Information

ChEMBL ID CHEMBL5865395
Phase Preclinical
Structure Type MOL
InChI Key URCNFSFXQAXSKF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.0
MW (Da)
5.00
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28ClNO4
MW 441.96
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.30

Activity Summary

EC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sphingosine 1-phosphate receptor 5
CHEMBL2274
EC50 7.0 7.0 100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine