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Compound Detail

CHEMBL574314

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O=C(O)/C(O)=C/C(=O)c1cccc(Cc2cccc(Cl)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL574314
Phase Preclinical
Structure Type MOL
InChI Key MIMMVBOHQSWYPS-YBEGLDIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.7
MW (Da)
3.64
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClO4
MW 316.74
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
19450984 10.1016/j.bmc.2009.04.058 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine