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Compound Detail

CHEMBL2171956

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CSc1ccc(Nc2ccc(F)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171956
Phase Preclinical
Structure Type MOL
InChI Key ZASHCLGRYXQXQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
5.44
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.64
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14FNS
MW 283.37
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
22966981 10.1021/jm301105m Unchecked 1
26150289 10.1016/j.ejmech.2015.06.036 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine