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Compound Detail

CHEMBL453399

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Cn1nc(Cc2ccc(F)cc2)nc1-c1ncc2cccnc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL453399
Phase Preclinical
Structure Type MOL
InChI Key IANOLRFMSDYWJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.3
MW (Da)
2.86
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.62
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 C18H14FN5O
MW 335.34
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
19217781 10.1016/j.bmcl.2009.01.090 Human immunodeficiency virus type 1 integrase 1
19217781 10.1016/j.bmcl.2009.01.090 Human immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine