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Compound Detail

CHEMBL4861714

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CCC(C)(C)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4861714
Phase Preclinical
Structure Type MOL
InChI Key JDEUUKYNTHHAQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

115.2
MW (Da)
0.91
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H13NO
MW 115.18
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
33848153 10.1021/acs.jmedchem.1c00124 Unchecked 2

Data from ChEMBL 36 via Core Engine