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Compound Detail

CHEMBL380269

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O=C1O/C(=C\c2cccc3ccccc23)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380269
Phase Preclinical
Structure Type MOL
InChI Key JRLHCXITJGWLCS-PDGQHHTCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
4.51
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.61
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 C19H12O2
MW 272.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
16713260 10.1016/j.bmcl.2006.04.087 Unchecked 1
16713260 10.1016/j.bmcl.2006.04.087 ADMET 1
16713260 10.1016/j.bmcl.2006.04.087 Human immunodeficiency virus 1
16713260 10.1016/j.bmcl.2006.04.087 Protein Tat 1
16713260 10.1016/j.bmcl.2006.04.087 Nuclear factor NF-kappa-B complex 1

Data from ChEMBL 36 via Core Engine