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Compound Detail

CHEMBL175672

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

Basic Information

ChEMBL ID CHEMBL175672
Phase Preclinical
Structure Type MOL
InChI Key MYGMVHZKQFXNDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

282.8
MW (Da)
3.26
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19ClN2O2
MW 282.77
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
15658874 10.1021/jm040789e Rattus norvegicus 2
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