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Compound Detail

CHEMBL1257224

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COc1cccc2c1sc1nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1257224
Phase Preclinical
Structure Type MOL
InChI Key MFNKUNOSNXLBNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
2.69
ALogP
7
HBA
2
HBD
92.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14FN3O4S
MW 399.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
20727748 10.1016/j.bmcl.2010.07.079 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine