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Compound Detail

CHEMBL198657

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COc1ccc2[nH]cc(CC3NC(=O)N(C)C3=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198657
Phase Preclinical
Structure Type MOL
InChI Key PNLBBRGCUBCRBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

273.3
MW (Da)
1.27
ALogP
3
HBA
2
HBD
74.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N3O3
MW 273.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
16153840 10.1016/j.bmcl.2005.07.077 Jurkat 1

Data from ChEMBL 36 via Core Engine