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Compound Detail

CHEMBL3134041

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O=C1NC(=O)/C(=C\c2ccc(Cl)cc2Cl)C2=C1CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3134041
Phase Preclinical
Structure Type MOL
InChI Key FCLJTNXEXSFLEN-QPEQYQDCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.2
MW (Da)
3.90
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13Cl2NO2
MW 322.19
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.72

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00149K No relevant target 1

Data from ChEMBL 36 via Core Engine