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Compound Detail

CHEMBL3358446

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CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358446
Phase Preclinical
Structure Type MOL
InChI Key PPQAVRDOPVZEBU-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
3.10
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23NO3
MW 277.36
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
24900862 10.1021/ml500088x RAC-alpha serine/threonine-protein kinase 1
24900862 10.1021/ml500088x NON-PROTEIN TARGET 1
24900862 10.1021/ml500088x NCI-H460 1

Data from ChEMBL 36 via Core Engine