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Compound Detail

CHEMBL402270

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O=C(O)c1ccc2ccc(/C=C/c3ccccc3O)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL402270
Phase Preclinical
Structure Type MOL
InChI Key NACJIAMYWYIKKF-CSKARUKUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
3.81
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.77
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 C18H13NO3
MW 291.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
17904844 10.1016/j.bmcl.2007.09.040 SK-N-MC 1
17904844 10.1016/j.bmcl.2007.09.040 No relevant target 1
17904844 10.1016/j.bmcl.2007.09.040 P388 1

Data from ChEMBL 36 via Core Engine