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Compound Detail

CHEMBL2059159

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COC(=O)Nc1nc2ccc(C(O)c3ccccc3)cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2059159
Phase Preclinical
Structure Type MOL
InChI Key IIQKUGXEGMZCLE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
2.82
ALogP
4
HBA
3
HBD
87.2
PSA (Ų)
0.69
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 C16H15N3O3
MW 297.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
23444387 10.1124/dmd.113.051177 ADMET 2
22795629 10.1016/j.bmcl.2012.06.050 Calmodulin-domain protein kinase 1 1
22795629 10.1016/j.bmcl.2012.06.050 Unchecked 1
23444387 10.1124/dmd.113.051177 Liver cytosol 1
23444387 10.1124/dmd.113.051177 Liver 1

Data from ChEMBL 36 via Core Engine