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Compound Detail

CHEMBL157011

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N#Cc1ccc(CO[C@@H]2C=C[C@@](O)(C(=O)O)C[C@H]2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL157011
Phase Preclinical
Structure Type MOL
InChI Key OSLSQUDNWVROBG-NFAWXSAZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
0.58
ALogP
5
HBA
3
HBD
110.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO5
MW 289.29
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.50

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
14667226 10.1021/jm030987q 3-dehydroquinate dehydratase 1

Data from ChEMBL 36 via Core Engine