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Compound Detail

CHEMBL3666964

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CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(Br)cc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL3666964
Phase Preclinical
Structure Type MOL
InChI Key XDVSHTILARCDNQ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

554.5
MW (Da)
6.70
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29BrFN3O3
MW 554.46
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.17

Activity Summary

Ki 3 meas. best 9.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arachidonate 5-lipoxygenase-activating protein
CHEMBL4550
Ki 9.19 9.19 0.6 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine