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Compound Detail

CHEMBL5797467

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O=C(O)c1ccc(C2CCN(Cc3ccc([C@H]4COc5cccnc5O4)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5797467
Phase Preclinical
Structure Type MOL
InChI Key QBKMHUZIIFEQEP-XMMPIXPASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
4.67
ALogP
5
HBA
1
HBD
71.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N2O4
MW 430.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 10.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene A-4 hydrolase
CHEMBL4618
 IC50 10.1 10.1 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene A-4 hydrolase IC50 = 0.08 nM 10.1 Enzyme Assay: The compounds of the invention are assessed for the ability to int... -

Data from ChEMBL 36 via Core Engine