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Compound Detail

CHEMBL16633

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COC(=O)C(=O)/C=C(\O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16633
Phase Preclinical
Structure Type MOL
InChI Key RLRGETOSWKYBHX-CLFYSBASSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
1.33
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.35
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 C11H10O4
MW 206.20
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
16821784 10.1021/jm060193m Human immunodeficiency virus type 1 integrase 2
10633043 10.1021/jm990396t Kynurenine 3-monooxygenase 1
12646026 10.1021/jm020334u Polymerase acidic protein 1

Data from ChEMBL 36 via Core Engine