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Compound Detail

CHEMBL5078606

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CN(C(=O)Cn1ccnc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5078606
Phase Preclinical
Structure Type MOL
InChI Key RSNSVNJIJYZIEC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

215.3
MW (Da)
1.55
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13N3O
MW 215.26
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -2.08

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