AMG-548

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Synonyms
Status
Molecule Category Free-form
UNII PGR0H531I4

Structure

InChI Key RQVKVJIRFKVPBF-VWLOTQADSA-N
Smiles Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O
InChI
InChI=1S/C29H27N5O/c1-34-28(35)26(24-12-11-21-9-5-6-10-23(21)18-24)27(22-13-15-31-16-14-22)33-29(34)32-19-25(30)17-20-7-3-2-4-8-20/h2-16,18,25H,17,19,30H2,1H3,(H,32,33)/t25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H27N5O
Molecular Weight 461.57
AlogP 4.64
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 85.83
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
MAP kinase p38 alpha inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- 76-220 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
2.06-35 35-75 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
2.06-35 - - - -

Target Conservation

Protein: MAP kinase p38 alpha
Description: Mitogen-activated protein kinase 14
Organism : Homo sapiens
Q16539 ENSG00000112062

Cross References

Resources Reference
ChEMBL CHEMBL585902
FDA SRS PGR0H531I4
PubChem 11167112
SureChEMBL SCHEMBL433425
ZINC ZINC000013982572
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