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Compound Detail

CHEMBL5762419

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O=C(O)CCN1CCC2(CC1)COc1cc(Oc3c(Cl)cccc3Cl)ccc12

Basic Information

ChEMBL ID CHEMBL5762419
Phase Preclinical
Structure Type MOL
InChI Key SUZNYIOXDIZISR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.3
MW (Da)
4.99
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21Cl2NO4
MW 422.31
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.23

Activity Summary

EC50 2 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sphingosine 1-phosphate receptor 5
CHEMBL2274
EC50 6.5 6.5 316.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine