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Compound Detail

CHEMBL2092915

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Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CC[P+](C)(C)C)O2.[Br-]

Basic Information

ChEMBL ID CHEMBL2092915
Phase Preclinical
Structure Type MOL
InChI Key JBCXEQPYLSVCON-FERBBOLQSA-N
Parent Compound CHEMBL2109960
Active Moiety CHEMBL2109960
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
4.70
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H30BrO2P
MW 389.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.55

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 2000.0 nM 5.7 The IC50 value was measured for inhibition of lipid autoxidation in rat brain ho... 7636848

Literature References

PubMed DOI Target Context # Activities
7636848 10.1021/jm00015a010 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine