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Compound Detail

CHEMBL416379

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COc1cc(NC(=O)C(=O)NC(C)(C)C(=O)O)ccc1-c1cnco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL416379
Phase Preclinical
Structure Type MOL
InChI Key HCQJFKOPTAOXNT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.3
MW (Da)
1.27
ALogP
6
HBA
3
HBD
130.8
PSA (Ų)
0.69
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 C16H17N3O6
MW 347.33
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
11965381 10.1016/s0960-894x(02)00132-4 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine