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Compound Detail

CHEMBL261131

DIACYLGLYCEROL KINASE INHIBITOR II
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O=c1c2ccccc2[nH]c(=S)n1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261131
Name DIACYLGLYCEROL KINASE INHIBITOR II
Phase Preclinical
Structure Type MOL
InChI Key ZCNBZFRECRPCKU-UHFFFAOYSA-N
7
Targets
15
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
5.94
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25F2N3OS
MW 489.59
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.06

Activity Summary

IC50 13 meas. best 6.92
EC50 2 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.92 6.72 120.0 2
Diacylglycerol kinase alpha
CHEMBL4105787
 IC50 6.52 5.62 300.0 3
Diacylglycerol kinase gamma
CHEMBL1075157
 IC50 5.47 5.47 3400.0 1
Unchecked
CHEMBL612545
 EC50 5.41 5.395 3940.0 2
Mitochondrial import inner membrane translocase subunit TIM23
CHEMBL1741180
 IC50 5.26 5.26 5440.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.1 5.025 7943.3 4
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
 IC50 4.9 4.9 12700.0 1
Diacylglycerol kinase alpha
CHEMBL4523195
 IC50 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 120.0 nM 6.92 Inhibition of diacylglycerol kinase in intact platelets 18077363
Unchecked IC50 = 300.0 nM 6.52 Inhibition of diacylglycerol kinase in isolated platelet membrane 18077363
Diacylglycerol kinase alpha IC50 = 300.0 nM 6.52 Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated... 30611057
Diacylglycerol kinase gamma IC50 = 3400.0 nM 5.47 Inhibition of human DGK gamma using 1, 2-Dilauroyl-sn-glycerol as substrate by A... 37465293
Unchecked EC50 = 3940.0 nM 5.41 PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... -
Unchecked EC50 = 4210.0 nM 5.38 PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... -
Diacylglycerol kinase alpha IC50 = 4300.0 nM 5.37 Inhibition of human DGK alpha using 1, 2-Dilauroyl-sn-glycerol as substrate by A... 37465293
Mitochondrial import inner membrane translocase subunit TIM23 IC50 = 5440.0 nM 5.26 PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... -
Plasmodium falciparum IC50 = 7943.28 nM 5.1 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Diacylglycerol kinase alpha IC50 = 10600.0 nM 4.97 Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homoge... 30611057
Mitochondrial import inner membrane translocase subunit TIM10 IC50 = 12700.0 nM 4.9 PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... -
Diacylglycerol kinase alpha IC50 = 18000.0 nM 4.75 Inhibition of pig FLAG3-tagged DGKalpha expressed in African green monkey COS7 c... 30611057

Literature References

PubMed DOI Target Context # Activities
30611057 10.1016/j.ejmech.2018.12.061 Diacylglycerol kinase alpha 5
23398362 10.1042/bj20121418 Tyrosine-protein kinase Lck 4
23398362 10.1042/bj20121418 Insulin receptor 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase HCK 4
23398362 10.1042/bj20121418 Cyclin-dependent kinase 5/CDK5 activator 1 4
23398362 10.1042/bj20121418 Serine/threonine-protein kinase mTOR 4
23398362 10.1042/bj20121418 cGMP-dependent protein kinase 1 4
23398362 10.1042/bj20121418 Protein kinase C beta type 4
19734910 10.1038/nchembio.215 Plasmodium falciparum 4
23398362 10.1042/bj20121418 Insulin-like growth factor 1 receptor 4
23398362 10.1042/bj20121418 Cyclin-dependent kinase 2/cyclin E 2
23398362 10.1042/bj20121418 Casein kinase I isoform gamma-3 2
23398362 10.1042/bj20121418 Tyrosine-protein kinase ABL2 2
23398362 10.1042/bj20121418 Death-associated protein kinase 1 2
23398362 10.1042/bj20121418 Ephrin type-A receptor 4 2
23398362 10.1042/bj20121418 Ephrin type-A receptor 5 2
23398362 10.1042/bj20121418 Fibroblast growth factor receptor 3 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase Nek7 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase MARK1 2
23398362 10.1042/bj20121418 Inhibitor of nuclear factor kappa-B kinase subunit alpha 2

Data from ChEMBL 36 via Core Engine