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Compound Detail

CHEMBL323610

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N[C@@](CC(Cc1ccccc1)Cc1ccccc1)(C(=O)O)C1C[C@@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL323610
Phase Preclinical
Structure Type MOL
InChI Key IVCCJQSSJYEWAF-RAOLVUDRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
2.98
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NO4
MW 367.44
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.38

Literature References

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

Data from ChEMBL 36 via Core Engine