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Compound Detail

CHEMBL4444976

CCX354
🧪 Phase II
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🧪 Phase II
COc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4cccnc43)CC2)ccc1Cl

Basic Information

ChEMBL ID CHEMBL4444976
Name CCX354
Phase Phase II
Structure Type MOL
InChI Key ZIMLRKWQDLVPEK-UHFFFAOYSA-N

Known Names

Ccx-354 Ccx354 CCX354-C GSK-2941266 GSK2941266
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
5
Known Names
1
Indications
1
Mechanisms

Molecular Properties

451.9
MW (Da)
2.83
ALogP
7
HBA
1
HBD
92.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C22H22ClN7O2
MW 451.92
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.89

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
C-C chemokine receptor type 1 antagonist ANTAGONIST C-C chemokine receptor type 1

Indications

Arthritis, Rheumatoid

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-C chemokine receptor type 1
CHEMBL2413
IC50 8.7 8.55 2.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30455146 10.1016/j.bmcl.2018.11.015 C-C chemokine receptor type 1 2
30595446 10.1016/j.bmcl.2018.12.024 Homo sapiens 1
30455146 10.1016/j.bmcl.2018.11.015 Homo sapiens 1

Data from ChEMBL 36 via Core Engine