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Compound Detail

CHEMBL481537

PK-11195
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CCC(C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL481537
Name PK-11195
Phase Preclinical
Structure Type MOL
InChI Key RAVIZVQZGXBOQO-UHFFFAOYSA-N
12
Targets
95
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

352.9
MW (Da)
5.43
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN2O
MW 352.87
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.09

Activity Summary

IC50 46 meas. best 9.0
Ki 38 meas. best 9.51
EC50 6 meas. best 4.48
Kd 5 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
 Ki 9.51 8.4917 0.3 30
Translocator protein
CHEMBL4552
 Kd 9.22 8.96 0.6 2
Unchecked
CHEMBL612545
 Ki 9.05 9.05 0.9 1
Unchecked
CHEMBL612545
 IC50 9.0 8.1233 1.0 3
Translocator protein
CHEMBL5742
 IC50 8.96 7.9567 1.1 3
Translocator protein
CHEMBL4552
 IC50 8.89 8.5142 1.3 24
Translocator protein
CHEMBL5742
 Kd 8.7 8.2067 2.0 3
Translocator protein
CHEMBL5742
 Ki 8.64 7.8714 2.3 7
MCF7
CHEMBL387
 IC50 8.27 8.27 5.4 1
T47D
CHEMBL614361
 IC50 8.22 8.22 6.0 1
Nuclear receptor subfamily 1 group I member 3
CHEMBL5503
 IC50 7.6 6.195 25.0 4
Plasmodium falciparum
CHEMBL364
 IC50 5.2 5.0 6309.6 6
GABA-A receptor; anion channel
CHEMBL1907607
 IC50 4.67 4.67 21379.6 1
Unchecked
CHEMBL612545
 EC50 4.48 4.48 33000.0 1
Jurkat
CHEMBL397
 EC50 4.25 4.185 56000.0 2
HEK-293T
CHEMBL3706568
 IC50 4.17 4.165 67400.0 2
C6
CHEMBL614657
 IC50 4.14 4.14 73000.0 1
Ramos
CHEMBL614629
 EC50 4.05 4.025 90000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 0.31 nM 9.51 Displacement of [11C]PK11195 from PBR receptor in rat brain membrane 19217778
Translocator protein Ki = 0.4 nM 9.4 Displacement of [3H]PK11195 from TSPO in rat C6 cell membrane after 90 mins by r... 24944744
Translocator protein Ki = 0.54 nM 9.27 Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR 16640334
Translocator protein Kd = 0.6 nM 9.22 Displacement of [3H]PK11195 from TSPO in rat cortex 19133775
Translocator protein Ki = 0.78 nM 9.11 Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat ... 8784441
Translocator protein Ki = 0.82 nM 9.09 Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBR 16640334
Translocator protein Ki = 0.83 nM 9.08 In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR... 15084121
Unchecked Ki = 0.89 nM 9.05 Binding affinity to peripheral BZD receptor (unknown origin) by radioligand disp... 23466604
Translocator protein Ki = 1.0 nM 9.0 Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes 21428406
Unchecked IC50 = 0.99 nM 9.0 Binding affinity to peripheral BZD receptor (unknown origin) by radioligand disp... 23466604
Translocator protein IC50 = 1.1 nM 8.96 Inhibition of TSPO (unknown origin) 27855359
Unchecked IC50 = 1.1 nM 8.96 Binding affinity to peripheral-type BZD receptor (unknown origin) by radioligand... 23582449
Translocator protein Ki = 1.14 nM 8.94 Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in Sprague-D... 18834105
Translocator protein Ki = 1.14 nM 8.94 Displacement of [3H]-flunitrazepam from TSPO receptor in Wistar rat brain withou... 33081988
Translocator protein Ki = 1.24 nM 8.91 Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins 22902658
Translocator protein IC50 = 1.3 nM 8.89 Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates af... 21916402
Translocator protein IC50 = 1.32 nM 8.88 Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex memb... 27855359
Translocator protein IC50 = 1.413 nM 8.85 Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of ra... 10508441
Translocator protein IC50 = 1.6 nM 8.8 Displacement of [3H]PK 11195 from rat heart Peripheral-type benzodiazepine recep... 26988801
Translocator protein IC50 = 1.6 nM 8.8 Displacement of [3H]PK 11195 from rat heart peripheral-type benzodiazepine recep... 27876250

Literature References

PubMed DOI Target Context # Activities
17251020 10.1016/j.bmcl.2006.12.102 Jurkat 8
26355532 10.1016/j.ejmech.2015.08.001 Translocator protein 6
19734910 10.1038/nchembio.215 Plasmodium falciparum 6
27855359 10.1016/j.ejmech.2016.11.017 Translocator protein 5
17300167 10.1021/jm061127n Translocator protein 4
30108706 10.1039/C6MD00523C HEK-293T 4
15664847 10.1016/j.bmcl.2004.11.017 Thyrotropin-releasing hormone receptor 4
- 10.6019/CHEMBL5724696 TERT-RPE1 4
21741237 10.1016/j.bmcl.2011.06.048 Translocator protein 3
37473690 10.1016/j.ejmech.2023.115631 Nuclear receptor subfamily 1 group I member 3 3
10508441 10.1021/jm991035g GABA-A receptor; alpha-1/beta-2/gamma-2 3
22902658 10.1016/j.bmcl.2012.07.093 Translocator protein 2
8784441 10.1021/jm960251b Translocator protein 2
19133775 10.1021/jm8011678 Translocator protein 2
17251020 10.1016/j.bmcl.2006.12.102 Ramos 2
9288173 10.1021/jm960516m Translocator protein 2
17251020 10.1016/j.bmcl.2006.12.102 Unchecked 2
16640334 10.1021/jm060006k Translocator protein 2
18472268 10.1016/j.bmc.2008.04.046 Translocator protein 2
10508441 10.1021/jm991035g Translocator protein 2

Data from ChEMBL 36 via Core Engine