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Compound Detail

CHEMBL446454

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O=C(O)c1ccc(C(=O)O)c2nc(/C=C/c3ccccc3Cl)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446454
Phase Preclinical
Structure Type MOL
InChI Key TZQDNKDKNBHXPV-AATRIKPKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

353.8
MW (Da)
4.46
ALogP
3
HBA
2
HBD
87.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12ClNO4
MW 353.76
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.64

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine