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Compound Detail

CHEMBL1235151

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NCc1[nH]cc(CCC(=O)O)c1CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1235151
Phase Preclinical
Structure Type MOL
InChI Key QSHWIQZFGQKFMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

226.2
MW (Da)
0.12
ALogP
3
HBA
4
HBD
116.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H14N2O4
MW 226.23
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
34758374 10.1016/j.bmcl.2021.128445 Macrophage migration inhibitory factor 1

Data from ChEMBL 36 via Core Engine