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Compound Detail

CHEMBL327588

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N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL327588
Phase Preclinical
Structure Type MOL
InChI Key UYKREHOKELZSPB-JTQLQIEISA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
0.24
ALogP
3
HBA
4
HBD
108.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3O3
MW 261.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.11

Activity Summary

IC50 2 meas.
EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16759105 10.1021/jm0511029 Solute carrier family 15 member 1 4
7629809 10.1021/jm00014a022 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine