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Compound Detail

CHEMBL537947

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O=C(O)c1c[nH]c2ccc(Cc3ccc(Cl)cc3)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL537947
Phase Preclinical
Structure Type MOL
InChI Key BOUOEHLCEHLTOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.7
MW (Da)
3.47
ALogP
2
HBA
2
HBD
70.2
PSA (Ų)
0.78
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 C17H12ClNO3
MW 313.74
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
19719237 10.1021/jm900460z Human immunodeficiency virus type 1 integrase 1
19719237 10.1021/jm900460z Human immunodeficiency virus 1 1
19719237 10.1021/jm900460z MT4 1

Data from ChEMBL 36 via Core Engine