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Compound Detail

CHEMBL19745

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CCCOP(=O)(NC(C)C(=O)OC)OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL19745
Phase Preclinical
Structure Type MOL
InChI Key GBEFLIFBOXKLBC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.4
MW (Da)
1.00
ALogP
9
HBA
2
HBD
137.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26N3O8P
MW 431.38
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.33

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80315-7 C8166 2
- 10.1016/S0960-894X(00)80315-7 Unchecked 1

Data from ChEMBL 36 via Core Engine