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Compound Detail

CHEMBL1830057

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COc1ccc2c(c1)C(=O)/C(=C1/C(=O)Nc3ccccc31)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830057
Phase Preclinical
Structure Type MOL
InChI Key ICOZIJMSERFNQD-PFONDFGASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
2.67
ALogP
4
HBA
2
HBD
67.4
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 C17H12N2O3
MW 292.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.30

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