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Compound Detail

CHEMBL2012143

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COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012143
Phase Preclinical
Structure Type MOL
InChI Key BUIDDTIFHZVUNT-NYYWCZLTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
3.50
ALogP
4
HBA
0
HBD
69.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13NO4
MW 283.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
37257213 10.1016/j.ejmech.2023.115471 Unchecked 2
22310230 10.1016/j.bmcl.2011.12.141 Androgen receptor 1
31000155 10.1016/j.bmcl.2019.04.020 Trypanosoma cruzi 1
31000155 10.1016/j.bmcl.2019.04.020 L929 1
31000155 10.1016/j.bmcl.2019.04.020 Unchecked 1

Data from ChEMBL 36 via Core Engine