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Compound Detail

CHEMBL77595

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N#C/C(=C\c1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL77595
Phase Preclinical
Structure Type MOL
InChI Key CDUQMGQIHYISOP-RMKNXTFCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
1.68
ALogP
2
HBA
1
HBD
61.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H7NO2
MW 173.17
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.37

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28051863 10.1021/acs.jmedchem.6b01285 Mus musculus 3
2552117 10.1021/jm00130a020 Epidermal growth factor receptor 2
8831754 10.1021/jm960229i Monoclonal antibody (mAb) 1
28051863 10.1021/acs.jmedchem.6b01285 Potassium channel subfamily K member 2 1
33534563 10.1021/acs.jmedchem.0c01570 Unchecked 1

Data from ChEMBL 36 via Core Engine