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Compound Detail

CHEMBL3962511

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CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3962511
Phase Preclinical
Structure Type MOL
InChI Key ZUEQZJBOQGKJNP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
4.48
ALogP
4
HBA
2
HBD
74.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29F3N4O2
MW 462.52
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.95

Activity Summary

EC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Atypical chemokine receptor 3
CHEMBL2010631
 EC50 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Atypical chemokine receptor 3 EC50 = 0.5 nM 9.3 In Vitro Assay: CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes w... -

Data from ChEMBL 36 via Core Engine