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Compound Detail

CHEMBL2003361

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CC(C)c1ccc2c(c1)/C(=C1/Nc3ccccc3C1=O)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2003361
Phase Preclinical
Structure Type MOL
InChI Key CWDMRBLFSUUJSP-MSUUIHNZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.78
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
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 2
Heavy Atoms 23
NP-Likeness 0.31

Literature References

PubMed DOI Target Context # Activities
29122482 10.1016/j.bmcl.2017.10.069 HT-22 1

Data from ChEMBL 36 via Core Engine