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Compound Detail

CHEMBL1256978

GSK-364735
🧪 Phase II
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🧪 Phase II
Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1256978
Name GSK-364735
Phase Phase II
Structure Type MOL
InChI Key QWLNINWUBHHOLU-UHFFFAOYSA-N

Known Names

Gsk-364735 GSK364735 S-364735 S/GSK 364735 S/GSK-364735
3
Targets
19
Activities
3
Assay Types
30
PK Parameters
17
Publications
5
Known Names
2
Indications
1
Mechanisms

Molecular Properties

371.4
MW (Da)
1.09
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C19H18FN3O4
MW 371.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.67

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Human immunodeficiency virus type 1 integrase inhibitor INHIBITOR Human immunodeficiency virus type 1 integrase ✓ ✓

Indications

HIV Infections HIV Infections

Activity Summary

IC50 14 meas. best 8.92
EC50 4 meas. best 8.77
Kd 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 IC50 8.92 8.415 1.2 4
Human immunodeficiency virus
CHEMBL613758
 EC50 8.77 8.77 1.7 1
Human immunodeficiency virus
CHEMBL613758
 IC50 8.77 8.234 1.7 5
Human immunodeficiency virus 1
CHEMBL378
 EC50 8.7 8.1267 2.0 3
Human immunodeficiency virus type 1 integrase
CHEMBL3471
 IC50 8.52 8.156 3.0 5
Human immunodeficiency virus type 1 integrase
CHEMBL3471
 Kd 7.58 7.58 26.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 3200.0 ng.hr.mL-1 Homo sapiens
AUC 5200.0 ng.hr.mL-1 Homo sapiens
AUC 5500.0 ng.hr.mL-1 Homo sapiens
AUC 6600.0 ng.hr.mL-1 Homo sapiens
AUC 11000.0 ng.hr.mL-1 Homo sapiens
AUC 8500.0 ng.hr.mL-1 Homo sapiens
AUC 4000.0 ng.hr.mL-1 Homo sapiens
AUC 11000.0 ng.hr.mL-1 Homo sapiens
AUC 9200.0 ng.hr.mL-1 Homo sapiens
AUC 15000.0 ng.hr.mL-1 Homo sapiens
AUC 5900.0 ng.hr.mL-1 Homo sapiens
AUC 5600.0 ng.hr.mL-1 Homo sapiens
AUC 12000.0 ng.hr.mL-1 Homo sapiens
AUC 9600.0 ng.hr.mL-1 Homo sapiens
AUC 12000.0 ng.hr.mL-1 Homo sapiens
AUC 4900.0 ng.hr.mL-1 Homo sapiens
AUC 22806.0 ng.hr.mL-1 Rattus norvegicus
CL 3.2 mL.min-1.kg-1 Rattus norvegicus
Cmax 2046.48 nM Homo sapiens
Cmax 2692.73 nM Homo sapiens
Cmax 2962.01 nM Homo sapiens
Cmax 3500.55 nM Homo sapiens
Cmax 3500.55 nM Homo sapiens
Cmax 2261.9 nM Homo sapiens
Cmax 1992.62 nM Homo sapiens
Cmax 6731.83 nM Homo sapiens
Cmax 4039.1 nM Homo sapiens
Cmax 5924.01 nM Homo sapiens
Cmax 2962.01 nM Homo sapiens
Cmax 3769.83 nM Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 IC50 = 1.2 nM 8.92 Antiviral activity against HIV1 BaL in peripheral blood lymphocytes 17923489
Human immunodeficiency virus EC50 = 1.7 nM 8.77 Antiviral activity against vesicular stomatitis virus G-pseudotyped Human immuno... 18160521
Human immunodeficiency virus IC50 = 1.7 nM 8.77 Antiviral activity against pseudotyped HIV by luciferase reporter gene assay 24908608
Human immunodeficiency virus 1 EC50 = 2.0 nM 8.7 Antiviral activity against Human immunodeficiency virus 1 Ba-L infected in human... 18160521
Human immunodeficiency virus 1 IC50 = 2.0 nM 8.7 Antiviral activity against PI-resistant Human immunodeficiency virus 1 18160521
Human immunodeficiency virus IC50 = 2.0 nM 8.7 Antiviral activity against HIV 23245515
Human immunodeficiency virus 1 IC50 = 2.2 nM 8.66 Antiviral activity against RTI-resistant Human immunodeficiency virus 1 18160521
Human immunodeficiency virus type 1 integrase IC50 = 3.0 nM 8.52 Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as red... 27092410
Human immunodeficiency virus 1 EC50 = 5.0 nM 8.3 Antiviral activity against Human immunodeficiency virus 1 3B infected in human M... 18160521
Human immunodeficiency virus IC50 = 5.0 nM 8.3 Antiviral activity against HIV infected in human MT4 cells 23245515
Human immunodeficiency virus type 1 integrase IC50 = 7.8 nM 8.11 Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scinti... 18160521
Human immunodeficiency virus type 1 integrase IC50 = 8.0 nM 8.1 Inhibition of HIV1 integrase strand transfer activity 23245515
Human immunodeficiency virus type 1 integrase IC50 = 8.1 nM 8.09 Inhibition of recombinant HIV-1 integrase by strand-transfer assay 24908608
Human immunodeficiency virus type 1 integrase IC50 = 11.0 nM 7.96 Displacement of 20 nM [3H]GSK304649 from Human immunodeficiency virus 1 integras... 18160521
Human immunodeficiency virus IC50 = 20.0 nM 7.7 Antiviral activity against HIV in presence of 40 mg/mL of purified human serum a... 23245515
Human immunodeficiency virus IC50 = 20.0 nM 7.7 Antiviral activity against pseudotyped HIV by luciferase reporter gene assay in ... 24908608
Human immunodeficiency virus type 1 integrase Kd = 26.0 nM 7.58 Displacement of [3H]GSK304649 from Human immunodeficiency virus 1 integrase by s... 18160521
Human immunodeficiency virus 1 EC50 = 42.0 nM 7.38 Antiviral activity against Human immunodeficiency virus 1 Ba-L infected in human... 18160521
Human immunodeficiency virus 1 IC50 = 42.0 nM 7.38 Antiviral activity against HIV1 BaL in peripheral blood lymphocytes in presence ... 17923489

Literature References

PubMed DOI Target Context # Activities
17923489 10.1128/aac.00716-07 Homo sapiens 118
18160521 10.1128/aac.01218-07 Human immunodeficiency virus 1 20
17923489 10.1128/aac.00716-07 Rattus norvegicus 3
23245515 10.1016/j.bmcl.2012.11.071 Human immunodeficiency virus 3
23245515 10.1016/j.bmcl.2012.11.071 Rattus norvegicus 3
18160521 10.1128/aac.01218-07 Human immunodeficiency virus 3
18160521 10.1128/aac.01218-07 Human immunodeficiency virus type 1 integrase 3
17923489 10.1128/aac.00716-07 Rhesus monkey 3
17923489 10.1128/aac.00716-07 Canis familiaris 3
17923489 10.1128/aac.00716-07 Human immunodeficiency virus 1 3
23245515 10.1016/j.bmcl.2012.11.071 ADMET 2
24908608 10.1016/j.bmcl.2014.05.011 Human immunodeficiency virus 2
27092410 10.1016/j.ejmech.2016.03.038 Human immunodeficiency virus type 1 integrase 2
17923489 10.1128/aac.00716-07 Plasma 1
18160521 10.1128/aac.01218-07 Unchecked 1
23245515 10.1016/j.bmcl.2012.11.071 Human immunodeficiency virus type 1 integrase 1
24908608 10.1016/j.bmcl.2014.05.011 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine