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Compound Detail

CHEMBL18726

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COC(=O)c1ccc2cc(O)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18726
Phase Preclinical
Structure Type MOL
InChI Key UKZOPQRTQJERQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

202.2
MW (Da)
2.33
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.72
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 C12H10O3
MW 202.21
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
9111292 10.1021/jm960449w Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine