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Compound Detail

CHEMBL459139

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CC1(C)CCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459139
Phase Preclinical
Structure Type MOL
InChI Key NVKLAUQZYRMPMH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.9
MW (Da)
5.08
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN2O2
MW 368.86
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
18952447 10.1016/j.bmc.2008.10.021 Glycogen phosphorylase, liver form 1

Data from ChEMBL 36 via Core Engine