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Compound Detail

CHEMBL202369

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O=C(O)c1ccc2ccc(/C=C/c3cccc(Cl)c3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202369
Phase Preclinical
Structure Type MOL
InChI Key QAFKLMYMWZWHGZ-XBXARRHUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

309.8
MW (Da)
4.76
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12ClNO2
MW 309.75
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.92

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16289813 10.1016/j.bmcl.2005.10.083 Human immunodeficiency virus type 1 integrase 1
17142046 10.1016/j.bmc.2006.11.020 No relevant target 1
17142046 10.1016/j.bmc.2006.11.020 SK-N-MC 1
17142046 10.1016/j.bmc.2006.11.020 Unchecked 1
17142046 10.1016/j.bmc.2006.11.020 Chlorella vulgaris 1

Data from ChEMBL 36 via Core Engine