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Compound Detail

CHEMBL269212

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N[C@@H](Cc1ccccc1)[C@H](O)CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL269212
Phase Preclinical
Structure Type MOL
InChI Key RZDSOGPADIZKDQ-WDEREUQCSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
0.78
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17NO3
MW 223.27
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.81

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
14761208 10.1021/jm031022+ NON-PROTEIN TARGET 1
14761208 10.1021/jm031022+ Unchecked 1

Data from ChEMBL 36 via Core Engine