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Compound Detail

CHEMBL441685

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CC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441685
Phase Preclinical
Structure Type MOL
InChI Key CPMKYMGGYUFOHS-FSPLSTOPSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

232.2
MW (Da)
-0.99
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.47
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 C9H16N2O5
MW 232.24
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.45

Activity Summary

EC50 1 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16759105 10.1021/jm0511029 Solute carrier family 15 member 1 4

Data from ChEMBL 36 via Core Engine