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Compound Detail

CHEMBL468085

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CCOC(=O)c1cnn(CC(C)O)c1NC(=O)N1CCN(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468085
Phase Preclinical
Structure Type MOL
InChI Key CGHQRCNGEMKHJC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
1.79
ALogP
7
HBA
2
HBD
99.9
PSA (Ų)
0.67
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 C21H29N5O4
MW 415.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.56

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19362486 10.1016/j.bmc.2009.03.035 Neutrophil 3
19362486 10.1016/j.bmc.2009.03.035 ADMET 1

Data from ChEMBL 36 via Core Engine