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Compound Detail

CHEMBL309467

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COC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL309467
Phase Preclinical
Structure Type MOL
InChI Key NFMPCWZITVVQKV-HOTGVXAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
1.50
ALogP
5
HBA
3
HBD
101.7
PSA (Ų)
0.68
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 C18H26N2O4
MW 334.42
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
11549455 10.1016/s0960-894x(01)00475-9 Tyrosine--tRNA ligase, cytoplasmic 1

Data from ChEMBL 36 via Core Engine