AMG-548

Search structure
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: PGR0H531I4

Structure
InChI Key RQVKVJIRFKVPBF-VWLOTQADSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR MAP kinase p38 alpha inhibitor
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 - - -
Enzyme Transferase
- - - - 2.647
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -1.3-0.59

Related Entries

Scaffolds

Cross References

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