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

CHEMBL585902

AMG-548
Phase I
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 I
Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL585902
Name AMG-548
Phase Phase I
Structure Type MOL
InChI Key RQVKVJIRFKVPBF-VWLOTQADSA-N

Known Names

Amg-548
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
8
Publications
1
Known Names
1
Mechanisms

Molecular Properties

461.6
MW (Da)
4.64
ALogP
6
HBA
2
HBD
85.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C29H27N5O
MW 461.57
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.43

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
MAP kinase p38 alpha inhibitor INHIBITOR Mitogen-activated protein kinase 14 ✓ ✓

Activity Summary

IC50 5 meas. best 7.46
EC50 3 meas. best 8.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 EC50 8.69 8.05 2.1 3
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 7.46 7.29 35.0 2
Mitogen-activated protein kinase 9
CHEMBL4179
 IC50 7.12 6.89 76.0 2
Mitogen-activated protein kinase 13
CHEMBL2939
 IC50 5.11 5.11 7736.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 EC50 = 2.06 nM 8.69 Binding affinity to HiBiT-tagged MAPK14 (unknown origin) assessed as shift in me... 34413958
Mitogen-activated protein kinase 14 EC50 = 10.0 nM 8.0 Binding affinity to MAPK14 (unknown origin) by fluorescence imaging/AlphaLISA ba... 34413958
Mitogen-activated protein kinase 14 EC50 = 35.0 nM 7.46 Binding affinity to MAPK14 (unknown origin) measured after 5 to 6 hrs incubation... 34413958
Mitogen-activated protein kinase 14 IC50 = 35.0 nM 7.46 Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells... 19928858
Mitogen-activated protein kinase 14 IC50 = 75.0 nM 7.12 Displacement of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl)... 19928858
Mitogen-activated protein kinase 9 IC50 = 76.0 nM 7.12 Inhibition of JNK2 active form by HTRF assay 19928858
Mitogen-activated protein kinase 9 IC50 = 220.0 nM 6.66 Displacement of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl)... 19928858
Mitogen-activated protein kinase 13 IC50 = 7736.0 nM 5.11 Immobilized Metal Affinity Polarization (IMAP) Assay: The MAPK13 blocking activi... -

Literature References

PubMed DOI Target Context # Activities
34413958 10.1021/acsmedchemlett.1c00276 Mitogen-activated protein kinase 14 4
29937980 10.1021/acsmedchemlett.8b00081 Mitogen-activated protein kinase 14 3
19928858 10.1021/jm901297e Mitogen-activated protein kinase 14 2
19928858 10.1021/jm901297e Mitogen-activated protein kinase 9 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine