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Compound Detail

CHEMBL4170568

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CNC(=O)c1cc(C)[nH]c(=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4170568
Phase Preclinical
Structure Type MOL
InChI Key XCQBZAYLFHCMOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
-0.25
ALogP
3
HBA
3
HBD
82.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H10N2O3
MW 182.18
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
30351002 10.1021/acs.jmedchem.8b01363 Unchecked 4
30351002 10.1021/acs.jmedchem.8b01363 Arginase-1 1
30351002 10.1021/acs.jmedchem.8b01363 Methionine aminopeptidase 2 1

Data from ChEMBL 36 via Core Engine