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Compound Detail

CHEMBL249172

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O=C(O)c1cc([N+](=O)[O-])c2ccc(/C=C/c3ccccc3Cl)nc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL249172
Phase Preclinical
Structure Type MOL
InChI Key KYWDFGCEXNBSSN-AATRIKPKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.8
MW (Da)
4.37
ALogP
5
HBA
2
HBD
113.6
PSA (Ų)
0.52
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 C18H11ClN2O5
MW 370.75
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.91

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