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Compound Detail

CHEMBL424625

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COc1cc(/C=C(\C#N)C(N)=O)cc(CSCCC(=O)O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL424625
Phase Preclinical
Structure Type MOL
InChI Key YYMPEPWCZBKSOU-ONNFQVAWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
1.50
ALogP
6
HBA
3
HBD
133.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N2O5S
MW 336.37
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.29

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7902440 10.1021/jm00075a010 Epidermal growth factor receptor 3
7902440 10.1021/jm00075a010 Epidermal growth factor receptor and ErbB2 (HER1 and HER2) 1

Data from ChEMBL 36 via Core Engine