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Compound Detail

CHEMBL325497

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N[C@@](CCC1CCNCC1)(C(=O)O)C1C[C@@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325497
Phase Preclinical
Structure Type MOL
InChI Key LJGPMZLCTHDYOM-BOURZNODSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
0.27
ALogP
4
HBA
4
HBD
112.7
PSA (Ų)
0.55
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 C13H22N2O4
MW 270.33
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.61

Literature References

PubMed DOI Target Context # Activities
9464366 10.1021/jm970497w Unchecked 1

Data from ChEMBL 36 via Core Engine