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Compound Detail

CHEMBL5598044

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O=C(Nc1ccccc1)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5598044
Phase Preclinical
Structure Type MOL
InChI Key MFUCMTIVYRQXAH-WHOHXGKFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
1.50
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15NO4
MW 261.28
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
39136241 10.1021/acs.jmedchem.4c01304 No relevant target 1
39136241 10.1021/acs.jmedchem.4c01304 Tissue factor pathway inhibitor 2 1

Data from ChEMBL 36 via Core Engine