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Compound Detail

CHEMBL1650595

AR-12
Phase I
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Phase I
NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1650595
Name AR-12
Phase Phase I
Structure Type MOL
InChI Key YULUCECVQOCQFQ-UHFFFAOYSA-N

Known Names

Ar-12 OSU-03012 Pdk1 inhibitor ar-12
25
Targets
31
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
1
Indications
1
Mechanisms

Molecular Properties

460.5
MW (Da)
5.76
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C26H19F3N4O
MW 460.46
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.14

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
3-phosphoinositide dependent protein kinase-1 inhibitor INHIBITOR 3-phosphoinositide-dependent protein kinase 1 ✓ ✓

Indications

Lymphoma

Activity Summary

IC50 20 meas. best 6.7
EC50 11 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Salmonella typhimurium
CHEMBL351
 IC50 6.7 6.7 200.0 1
Nipah virus
CHEMBL615055
 EC50 6.52 6.52 300.0 2
Marburgvirus
CHEMBL4296577
 EC50 6.52 6.52 300.0 2
Ebolavirus
CHEMBL4434621
 EC50 6.52 6.52 300.0 2
Unchecked
CHEMBL612545
 IC50 6.52 6.31 300.0 2
Lassa virus
CHEMBL615051
 EC50 6.3 6.3 500.0 1
dengue virus type 2
CHEMBL613966
 EC50 6.22 6.22 600.0 1
dengue virus type 4
CHEMBL613728
 EC50 6.22 6.22 600.0 1
dengue virus type 1
CHEMBL613360
 EC50 6.22 6.22 600.0 1
dengue virus type 3
CHEMBL612717
 EC50 6.22 6.22 600.0 1
NCI-H69
CHEMBL614805
 IC50 5.75 5.75 1800.0 1
TC-32
CHEMBL4296499
 IC50 5.7 5.7 2000.0 1
Zika virus
CHEMBL4296612
 IC50 5.7 5.7 2000.0 2
A673
CHEMBL614517
 IC50 5.68 5.68 2100.0 1
HCT-116
CHEMBL394
 IC50 5.57 5.57 2700.0 1
MCF7
CHEMBL387
 IC50 5.55 5.55 2800.0 1
786-0
CHEMBL613102
 IC50 5.54 5.54 2900.0 1
IGROV-1
CHEMBL613984
 IC50 5.43 5.43 3700.0 1
Rec1
CHEMBL4483266
 IC50 5.42 5.42 3800.0 1
NCI-H82
CHEMBL2366077
 IC50 5.4 5.4 4000.0 1
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
 IC50 5.3 5.3 5000.0 2
CAKI-1
CHEMBL614067
 IC50 5.3 5.3 5000.0 1
SK-N-MC
CHEMBL614163
 IC50 5.22 5.22 6000.0 1
PC-3
CHEMBL390
 IC50 5.19 5.19 6500.0 1
RAW264.7
CHEMBL612557
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Salmonella typhimurium IC50 = 200.0 nM 6.7 Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 1402... 19805568
Ebolavirus EC50 = 300.0 nM 6.52 Antiviral activity against GFP-tagged EBOV infected in human Huh-7 cells assesse... 33539089
Marburgvirus EC50 = 300.0 nM 6.52 Antiviral activity against GFP-tagged MARV infected in human Huh-7 cells assesse... 33539089
Ebolavirus EC50 = 300.0 nM 6.52 Antiviral activity against GFP-tagged EBOV 33539089
Marburgvirus EC50 = 300.0 nM 6.52 Antiviral activity against GFP-tagged MARV 33539089
Nipah virus EC50 = 300.0 nM 6.52 Antiviral activity against Luc-tagged NiV 33539089
Nipah virus EC50 = 300.0 nM 6.52 Antiviral activity against Luc-tagged NiV infected in HEK293T cells assessed as ... 33539089
Unchecked IC50 = 300.0 nM 6.52 Cytotoxicity against human 6647 cells measured after 72 hrs by MTT assay 34624821
Lassa virus EC50 = 500.0 nM 6.3 Antiviral activity against LASV in 1 hr pretreated human A549 cells measured aft... 33539089
dengue virus type 2 EC50 = 600.0 nM 6.22 Antiviral activity against DENV2 after 48 hrs by qRT-PCR analysis 31128447
dengue virus type 4 EC50 = 600.0 nM 6.22 Antiviral activity against DENV4 after 48 hrs by qRT-PCR analysis 31128447
dengue virus type 3 EC50 = 600.0 nM 6.22 Antiviral activity against DENV3 after 48 hrs by qRT-PCR analysis 31128447
dengue virus type 1 EC50 = 600.0 nM 6.22 Antiviral activity against DENV1 after 48 hrs by qRT-PCR analysis 31128447
Unchecked IC50 = 800.0 nM 6.1 Cytotoxicity against human TC71 cells measured after 72 hrs by MTT assay 34624821
NCI-H69 IC50 = 1800.0 nM 5.75 Cytotoxicity against human NCI-H69 cells measured after 72 hrs by MTT assay 34624821
TC-32 IC50 = 2000.0 nM 5.7 Cytotoxicity against human TC-32 cells measured after 72 hrs by MTT assay 34624821
Zika virus IC50 = 2000.0 nM 5.7 Antiviral activity against ZIKV-PRVABC59 infected in Neuronal cell line measured... 33539089
Zika virus IC50 = 2000.0 nM 5.7 Antiviral activity against ZIKV-PRVABC59 infected in human Huh-7 cells measured ... 33539089
A673 IC50 = 2100.0 nM 5.68 Cytotoxicity against human A673 cells measured after 72 hrs by MTT assay 34624821
HCT-116 IC50 = 2700.0 nM 5.57 Cytotoxicity against human HCT-116 cells measured after 72 hrs by MTT assay 34624821

Literature References

PubMed DOI Target Context # Activities
19805568 10.1128/aac.00555-09 Salmonella typhimurium 22
- 10.6019/CHEMBL4495565 SARS-CoV-2 6
19805568 10.1128/aac.00555-09 RAW264.7 5
34624821 10.1016/j.ejmech.2021.113895 Unchecked 4
19805568 10.1128/aac.00555-09 RAC-alpha serine/threonine-protein kinase 3
33539089 10.1021/acs.jmedchem.0c01467 Zika virus 3
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 3
34624821 10.1016/j.ejmech.2021.113895 786-0 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
34624821 10.1016/j.ejmech.2021.113895 NCI-H69 2
34624821 10.1016/j.ejmech.2021.113895 NCI-H82 2
34624821 10.1016/j.ejmech.2021.113895 HCT-116 2
34624821 10.1016/j.ejmech.2021.113895 MCF7 2
34624821 10.1016/j.ejmech.2021.113895 SK-N-MC 2
34624821 10.1016/j.ejmech.2021.113895 CAKI-1 2
34624821 10.1016/j.ejmech.2021.113895 PC-3 2
34624821 10.1016/j.ejmech.2021.113895 TC-32 2
34624821 10.1016/j.ejmech.2021.113895 IGROV-1 2
34624821 10.1016/j.ejmech.2021.113895 A673 2

Data from ChEMBL 36 via Core Engine