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Compound Detail

CHEMBL283950

L-737126
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NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL283950
Name L-737126
Phase Preclinical
Structure Type MOL
InChI Key KHJNUJLYIHQWQI-UHFFFAOYSA-N
6
Targets
22
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

334.8
MW (Da)
2.75
ALogP
3
HBA
2
HBD
93.0
PSA (Ų)
0.77
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 C15H11ClN2O3S
MW 334.78
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.20

Activity Summary

EC50 13 meas. best 9.0
IC50 9 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 EC50 9.0 7.7 1.0 7
MT4
CHEMBL388
 EC50 9.0 7.2667 1.0 3
Human immunodeficiency virus type 1 protease
CHEMBL243
 IC50 8.52 7.3525 3.0 4
Unchecked
CHEMBL612545
 IC50 8.52 8.52 3.0 1
C8166
CHEMBL614533
 EC50 8.15 6.4333 7.0 3
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 7.6 7.23 25.0 3
Human immunodeficiency virus 1
CHEMBL378
 IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 1.0 nM 9.0 Inhibition of HIV-1 (IIIB) induced cytopathicity in MT-4 cells. 15239667
Human immunodeficiency virus 1 EC50 = 1.0 nM 9.0 Anti-HIV activity protecting MT-4 cells from HIV-1 induced cytopathogenicity 12773052
Human immunodeficiency virus 1 EC50 = 1.0 nM 9.0 Antiviral activity against wild type HIV1 22268494
Human immunodeficiency virus 1 EC50 = 1.0 nM 9.0 Antiviral activity against HIV1 16722636
MT4 EC50 = 1.0 nM 9.0 Protection of infected MT-4 cells from wtIIIB-HIV-1-induced cytopathogenicity 15634015
Human immunodeficiency virus type 1 protease IC50 = 3.0 nM 8.52 Inhibition of HIV-1 RT using rC-dG as template 7683725
Unchecked IC50 = 3.0 nM 8.52 Inhibition of HIV NL43 recombinant reverse transcriptase by scintillation proxim... 18083561
C8166 EC50 = 7.0 nM 8.15 Anti-HIV activity to reduce the amount of p24 in WT IIIB infected C8166 cells 12773052
Human immunodeficiency virus 1 EC50 = 20.0 nM 7.7 Inhibition of Efavirenz resistant HIV-1 (Y181C) induced cytopathicity in MT-4 ce... 15239667
MT4 EC50 = 20.0 nM 7.7 Concentration required to achieve 50% protection of infected MT-4 cells from Y18... 15634015
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 25.0 nM 7.6 Activity to inhibit HIV-1 Reverse transcriptase activity in WT IIIB 12773052
Human immunodeficiency virus type 1 protease IC50 = 71.0 nM 7.15 Inhibition single mutant of HIV-1 RT (Y181C) 7683725
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 71.0 nM 7.15 Inhibition of HIV NL43 recombinant reverse transcriptase Y181C mutant by scintil... 18083561
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 116.0 nM 6.94 Inhibition of HIV NL43 recombinant reverse transcriptase K103N mutant by scintil... 18083561
Human immunodeficiency virus type 1 protease IC50 = 116.0 nM 6.94 Inhibition single mutant of HIV-1 RT (K103 N) 7683725
Human immunodeficiency virus type 1 protease IC50 = 160.0 nM 6.8 Activity to inhibit mutant HIV-1 rRT activity in Y181C 12773052
C8166 EC50 = 900.0 nM 6.05 Anti-HIV activity to reduce the amount of p24 in C8166 cells infected with efavi... 12773052
Human immunodeficiency virus 1 IC50 = 2000.0 nM 5.7 Antiviral activity against HIV1 19112024
Human immunodeficiency virus 1 EC50 = 8000.0 nM 5.1 Antiviral activity against HIV1 harboring RT K103N/Y181C double mutant infected ... 32883642
MT4 EC50 = 8000.0 nM 5.1 Concentration required to achieve 50% protection of infected MT-4 cells from K10... 15634015

Literature References

PubMed DOI Target Context # Activities
15239667 10.1021/jm031147e Human immunodeficiency virus 1 4
12773052 10.1021/jm0211063 C8166 3
7683725 10.1021/jm00061a022 Human immunodeficiency virus type 1 protease 3
15634015 10.1021/jm040854k MT4 3
12773052 10.1021/jm0211063 Human immunodeficiency virus type 1 reverse transcriptase 2
12773052 10.1021/jm0211063 Human immunodeficiency virus 1 2
18083561 10.1016/j.bmcl.2007.11.085 Human immunodeficiency virus type 1 reverse transcriptase 2
15634015 10.1021/jm040854k C8166 2
32883642 10.1016/j.ejmech.2020.112696 Human immunodeficiency virus 1 1
22268494 10.1021/jm200990c Human immunodeficiency virus 1 1
19112024 10.1016/j.bmc.2008.11.075 Human immunodeficiency virus 1 1
18083561 10.1016/j.bmcl.2007.11.085 Unchecked 1
16722636 10.1021/jm0512490 Human immunodeficiency virus 1 1
15239667 10.1021/jm031147e Unchecked 1
15239667 10.1021/jm031147e C8166 1
15239667 10.1021/jm031147e MT4 1
7683725 10.1021/jm00061a022 MT4 1
12773052 10.1021/jm0211063 MT4 1
12773052 10.1021/jm0211063 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine