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Compound Detail

CHEMBL473369

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CC12Oc3ccccc3C(=O)N1CCc1c2[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473369
Phase Preclinical
Structure Type MOL
InChI Key TWTOBFWKWUSDSI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.43
ALogP
2
HBA
1
HBD
45.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N2O2
MW 304.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.27

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19254847 10.1016/j.bmc.2009.02.015 Aorta 2

Data from ChEMBL 36 via Core Engine