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Compound Detail

CHEMBL575207

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CC(=O)N(C)CCNc1cc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL575207
Phase Preclinical
Structure Type MOL
InChI Key OVFCNJTZFINERB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
2.90
ALogP
5
HBA
3
HBD
94.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23FN4O3
MW 410.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 integrase
CHEMBL3471
 IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 integrase IC50 = 30.0 nM 7.52 Inhibition of HIV1 integrase strand transfer activity 19450984

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