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Compound Detail

CHEMBL136624

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CCCCC(C(=O)Nc1ccc(O)cc1C)C(=O)Nc1ccc(O)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL136624
Phase Preclinical
Structure Type MOL
InChI Key VZBDFVVRAGCYEC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
4.10
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O4
MW 370.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.23

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3100804 10.1021/jm00385a031 Cyclooxygenase 2
3100804 10.1021/jm00385a031 Unchecked 1

Data from ChEMBL 36 via Core Engine