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Compound Detail

CHEMBL252036

GS-9148
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Nc1ncnc2c1ncn2[C@@H]1O[C@H](OCP(=O)(O)O)C=C1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252036
Name GS-9148
Phase Preclinical
Structure Type MOL
InChI Key MPSGQQOHTJUJKB-QUBYGPBYSA-N

Known Names

Gs-9148 GS9148
2
Targets
6
Activities
2
Assay Types
1
PK Parameters
18
Publications
2
Known Names

Molecular Properties

331.2
MW (Da)
0.27
ALogP
8
HBA
3
HBD
145.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Single Enantiomer

Extended Properties

Molecular Formula C10H11FN5O5P
MW 331.20
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.13

Activity Summary

EC50 4 meas. best 4.97
IC50 2 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 5.72 5.72 1900.0 2
Human immunodeficiency virus 1
CHEMBL378
 EC50 4.97 4.9275 10600.0 4

Pharmacokinetic Data

Parameter Value Units Species
AUC 1622.88 ng.hr.mL-1 Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 1900.0 nM 5.72 Inhibition of wild type HIV 3B reverse transcriptase in MT2 cells 18164198
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 1900.0 nM 5.72 Inhibition on HIV1 reverse transcriptase p66/p51 19179082
Human immunodeficiency virus 1 EC50 = 10600.0 nM 4.97 Antiviral activity against HIV1 3B infected in human MT2 cells assessed as inhib... 20409721
Human immunodeficiency virus 1 EC50 = 12000.0 nM 4.92 Antiviral activity against HIV1 3a infected human MT2 cells assessed as inhibiti... 19179082
Human immunodeficiency virus 1 EC50 = 12300.0 nM 4.91 Antiviral activity against HIV1 3B in MT2 cells 18082402
Human immunodeficiency virus 1 EC50 = 12300.0 nM 4.91 Antiviral activity against wild type HIV1 3B in MT2 cells 18164198

Literature References

PubMed DOI Target Context # Activities
19001108 10.1128/aac.01183-08 ADMET 7
19001108 10.1128/aac.01183-08 CHO 5
19001108 10.1128/aac.01183-08 Canis familiaris 3
18164198 10.1016/j.bmcl.2007.11.125 Human immunodeficiency virus 3
19179082 10.1016/j.bmc.2008.12.028 Human immunodeficiency virus 1 3
19001108 10.1128/aac.01183-08 Organic anion transporter 3 2
19001108 10.1128/aac.01183-08 Solute carrier family 22 member 6 2
20409721 10.1016/j.bmc.2010.03.041 MT2 1
20409721 10.1016/j.bmc.2010.03.041 ADMET 1
20409721 10.1016/j.bmc.2010.03.041 Human immunodeficiency virus 1 1
20409721 10.1016/j.bmc.2010.03.041 HepG2 1
18082402 10.1016/j.bmcl.2007.11.126 Human immunodeficiency virus 1 1
19179082 10.1016/j.bmc.2008.12.028 MT2 1
19179082 10.1016/j.bmc.2008.12.028 Human immunodeficiency virus type 1 reverse transcriptase 1
18164198 10.1016/j.bmcl.2007.11.125 MT2 1
18164198 10.1016/j.bmcl.2007.11.125 Human immunodeficiency virus type 1 reverse transcriptase 1
18164198 10.1016/j.bmcl.2007.11.125 Human immunodeficiency virus 1 1
18082402 10.1016/j.bmcl.2007.11.126 MT2 1

Data from ChEMBL 36 via Core Engine