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Compound Detail

CHEMBL5079290

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CC(=O)N(CCCn1ccnc1)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5079290
Phase Preclinical
Structure Type MOL
InChI Key ZXKZACDXBKFTIE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
2.32
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O
MW 257.34
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.79

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
34472337 10.1021/acs.jmedchem.1c00633 Heme oxygenase 2 1
34472337 10.1021/acs.jmedchem.1c00633 Heme oxygenase 1 1

Data from ChEMBL 36 via Core Engine