Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1615025

TAK-733
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1615025
Name TAK-733
Phase Phase II
Structure Type MOL
InChI Key RCLQNICOARASSR-SECBINFHSA-N

Known Names

Mek inhibitor tak-733 Rec-4881 Tak 733 Tak-733 TAK733
6
Targets
9
Activities
3
Assay Types
18
PK Parameters
20
Publications
5
Known Names
4
Indications
2
Mechanisms

Molecular Properties

504.2
MW (Da)
1.07
ALogP
8
HBA
3
HBD
109.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C17H15F2IN4O4
MW 504.23
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.33

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Dual specificity mitogen-activated protein kinase kinase 1 inhibitor INHIBITOR Dual specificity mitogen-activated protein kinase kinase 1 ✓ ✓
Dual specificity mitogen-activated protein kinase kinase 2 inhibitor INHIBITOR Dual specificity mitogen-activated protein kinase kinase 2 ✓ ✓

Indications

Neoplasms Neoplasms Adenomatous Polyposis Coli Melanoma

Activity Summary

IC50 4 meas. best 9.72
Kd 3 meas. best 7.7
EC50 2 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 9.72 9.72 0.2 1
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
 IC50 8.75 8.4667 1.8 3
COLO 205
CHEMBL614561
 EC50 8.68 8.68 2.1 1
A-375
CHEMBL613859
 EC50 8.51 8.51 3.1 1
Dual specificity mitogen-activated protein kinase kinase 2
CHEMBL2964
 Kd 7.7 7.7 20.0 1
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
 Kd 7.68 7.68 21.0 1
Dual specificity mitogen-activated protein kinase kinase 5
CHEMBL4948
 Kd 5.47 5.47 3348.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 17.2 mL.min-1.kg-1 Mus musculus
CL 13.7 mL.min-1.kg-1 Rattus norvegicus
CL 5.9 mL.min-1.kg-1 Canis lupus familiaris
CL 11.1 mL.min-1.kg-1 Macaca mulatta
F 67.0 % Mus musculus
F 71.0 % Rattus norvegicus
F 76.0 % Canis lupus familiaris
F 38.0 % Macaca mulatta
MRT 1.9 hr Mus musculus
MRT 4.6 hr Mus musculus
MRT 2.0 hr Rattus norvegicus
MRT 11.5 hr Rattus norvegicus
MRT 8.9 hr Canis lupus familiaris
MRT 12.9 hr Canis lupus familiaris
MRT 5.8 hr Macaca mulatta
MRT 23.8 hr Macaca mulatta
T1/2 2.383 hr Homo sapiens
T1/2 2.25 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.19 nM 9.72 Inhibition of ERK phosphorylation in human A-431 cells at 1 to 10 uM incubated f... 37859720
Dual specificity mitogen-activated protein kinase kinase 1 IC50 = 1.79 nM 8.75 Inhibition of MEK1 (unknown origin) 24755426
COLO 205 EC50 = 2.1 nM 8.68 Cytotoxicity against human COLO205 cells after 72 hrs by MTS assay 21310613
A-375 EC50 = 3.1 nM 8.51 Cytotoxicity against human A375 cells after 72 hrs by MTS assay 21310613
Dual specificity mitogen-activated protein kinase kinase 1 IC50 = 3.2 nM 8.49 Inhibition of MEK1 by IMAP assay 21310613
Dual specificity mitogen-activated protein kinase kinase 1 IC50 = 6.92 nM 8.16 Inhibition of MEK1 in human COLO205 cells 24755426
Dual specificity mitogen-activated protein kinase kinase 2 Kd = 20.0 nM 7.7 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Dual specificity mitogen-activated protein kinase kinase 1 Kd = 21.0 nM 7.68 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Dual specificity mitogen-activated protein kinase kinase 5 Kd = 3348.0 nM 5.47 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878

Literature References

PubMed DOI Target Context # Activities
21310613 10.1016/j.bmcl.2011.01.071 Mus musculus 5
21310613 10.1016/j.bmcl.2011.01.071 Rattus norvegicus 5
21310613 10.1016/j.bmcl.2011.01.071 Canis familiaris 5
21310613 10.1016/j.bmcl.2011.01.071 Rhesus monkey 5
29191878 10.1126/science.aan4368 Unchecked 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
21310613 10.1016/j.bmcl.2011.01.071 Plasma 2
24755426 10.1016/j.bmcl.2014.03.086 Dual specificity mitogen-activated protein kinase kinase 1 2
21310613 10.1016/j.bmcl.2011.01.071 Liver microsomes 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
21310613 10.1016/j.bmcl.2011.01.071 RAF proto-oncogene serine/threonine-protein kinase 1
21310613 10.1016/j.bmcl.2011.01.071 Tyrosine-protein kinase JAK3 1
21310613 10.1016/j.bmcl.2011.01.071 Insulin receptor 1
38157838 10.1016/j.bmc.2023.117561 Unchecked 1
21310613 10.1016/j.bmcl.2011.01.071 Hepatocyte growth factor receptor 1
21310613 10.1016/j.bmcl.2011.01.071 Cyclin-dependent kinase 2/cyclin A 1
21310613 10.1016/j.bmcl.2011.01.071 Calcium/calmodulin-dependent protein kinase type 1D 1
21310613 10.1016/j.bmcl.2011.01.071 Tyrosine-protein kinase ABL1 1
21310613 10.1016/j.bmcl.2011.01.071 COLO 205 1

Data from ChEMBL 36 via Core Engine