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Compound Detail

CHEMBL5980428

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CCCN(c1cnc(C(=O)C2C[C@@H]2C(=O)O)c(OC)n1)c1cc(Cl)c(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5980428
Phase Preclinical
Structure Type MOL
InChI Key JBSBGXXISRQIMP-AXDSSHIGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.8
MW (Da)
3.87
ALogP
6
HBA
1
HBD
92.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClF2N3O4
MW 425.82
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 9.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene C4 synthase
CHEMBL1743183
 IC50 9.32 9.32 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene C4 synthase IC50 = 0.483 nM 9.32 In Vitro hLTC4 Synthase Enzyme Assay: In the assay, LTC4 synthase catalyses the ... -

Data from ChEMBL 36 via Core Engine