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Compound Detail

CHEMBL62143

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CC(=O)N1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O

Basic Information

ChEMBL ID CHEMBL62143
Phase Preclinical
Structure Type MOL
InChI Key WFVLNIHBLHNNAK-XNTDXEJSSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.5
MW (Da)
4.15
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29NO3
MW 343.47
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.04

Activity Summary

IC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
IC50 6.7 6.7 200.0 1
Homo sapiens
CHEMBL372
IC50 6.46 6.46 350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3118023 10.1021/jm00394a011 Rattus norvegicus 8
3118023 10.1021/jm00394a011 Homo sapiens 1

Data from ChEMBL 36 via Core Engine