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Compound Detail

CHEMBL4558193

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CC(C)c1ccc(NCC(=O)N[C@H]2CCOC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4558193
Phase Preclinical
Structure Type MOL
InChI Key DSVAYAZAGIOURP-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
1.65
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N2O3
MW 276.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
30553142 10.1016/j.ejmech.2018.12.014 MGC-803 1
30553142 10.1016/j.ejmech.2018.12.014 MCF7 1
30553142 10.1016/j.ejmech.2018.12.014 DU-145 1
30553142 10.1016/j.ejmech.2018.12.014 PC-3 1

Data from ChEMBL 36 via Core Engine