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Compound Detail

CHEMBL266181

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CCOC(=O)c1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1

Basic Information

ChEMBL ID CHEMBL266181
Phase Preclinical
Structure Type MOL
InChI Key MUBFOUDNGKIFMW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

538.5
MW (Da)
5.65
ALogP
7
HBA
1
HBD
71.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25Cl2N3O3S2
MW 538.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -2.23

Activity Summary

IC50 1 meas. best 7.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-C chemokine receptor type 3
CHEMBL3473
IC50 7.32 7.32 48.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11354381 10.1016/s0960-894x(01)00176-7 C-C chemokine receptor type 3 1
11354381 10.1016/s0960-894x(01)00176-7 C-C chemokine receptor type 1 1

Data from ChEMBL 36 via Core Engine