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Compound Detail

CHEMBL369451

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CC(=O)NC1CC(C)(C)Oc2ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL369451
Phase Preclinical
Structure Type MOL
InChI Key IBKZTPBSMWLSKN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

253.7
MW (Da)
3.08
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.84
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 C13H16ClNO2
MW 253.73
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
15658874 10.1021/jm040789e Rattus norvegicus 6
22809560 10.1016/j.ejmech.2012.06.050 NON-PROTEIN TARGET 2
18353509 10.1016/j.ejmech.2008.01.020 ATP-binding cassette sub-family C member 9 1
22809560 10.1016/j.ejmech.2012.06.050 T98G 1

Data from ChEMBL 36 via Core Engine