PAMAPIMOD

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Synonyms
Status
Molecule Category UNKNOWN
UNII 8S2C9V11K4

Structure

InChI Key JYYLVUFNAHSSFE-UHFFFAOYSA-N
Smiles Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(CCO)CCO)nc21
InChI
InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20F2N4O4
Molecular Weight 406.39
AlogP 1.94
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 109.5
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Bioactivity

Mechanism of Action Action Reference
MAP kinase p38 alpha inhibitor INHIBITOR PubMed
Protein: MAP kinase p38 alpha
Description: Mitogen-activated protein kinase 14
Organism : Homo sapiens
Q16539 ENSG00000112062
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - 150 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - 300 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - 150 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - 300 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- - 260-260 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- 5420 16-16 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase nmo subfamily
- - 170-170 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 14-14 1-1 - -
Assay Description Organism Bioactivity Reference
Binding affinity to p38alpha None 1.3 nM
Binding affinity to p38beta None 120.0 nM
Binding affinity to JNK2 None 16.0 nM
Binding affinity to JNK3 None 19.0 nM
Binding affinity to NLK None 170.0 nM
Binding affinity to JNK1 None 190.0 nM
Binding affinity to CSNK1epsilon None 260.0 nM
Binding affinity to RSK4beta None 150.0 nM
Binding affinity to RSK3beta None 320.0 nM
Inhibition of human recombinant p38alpha by liquid scintillation counting Homo sapiens 14.0 nM
Inhibition of LPS-induced TNFalpha production in human THP1 cells by ELISA Homo sapiens 25.0 nM
Inhibition of LPS-induced IL1-beta production in human whole blood by ELISA Homo sapiens 100.0 nM
Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillation counting Homo sapiens 14.0 nM
Inhibition of p38alpha None 1.3 nM
Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein at 10 uM after 30 mins by scintillation counting Homo sapiens 85.0 %
Inhibition of P38beta at 10 uM None 85.0 %
Inhibition of ADCK3 at 10 uM None 85.0 %
Inhibition of CSNK1epsilon at 10 uM None 85.0 %
Inhibition of DDR1 at 10 uM None 85.0 %
Inhibition of GAK at 10 uM None 85.0 %
Inhibition of JNK1 at 10 uM None 85.0 %
Inhibition of JNK2 at 10 uM None 85.0 %
Inhibition of JNK3 at 10 uM None 85.0 %
Inhibition of NLK at 10 uM None 85.0 %
Inhibition of RSK2 at 10 uM None 85.0 %
Inhibition of RSK4 at 10 uM None 85.0 %
Inhibition of STK36 at 10 uM None 85.0 %
Inhibition of P38beta None 120.0 nM
Inhibition of CSNK1epsilon None 260.0 nM
Inhibition of JNK1 None 190.0 nM
Inhibition of JNK2 None 16.0 nM
Inhibition of JNK3 None 19.0 nM
Inhibition of NLK None 170.0 nM
Inhibition of RSK2 None 300.0 nM
Inhibition of RSK4 None 150.0 nM
Inhibition of TNFalpha-induced IL1-beta production in human whole blood after 2 to 5 hrs by ELISA Homo sapiens 100.0 nM
Inhibition of LPS-induced TNFalpha production in po dosed rat serum administered 30 mins before LPS challenge measured after 1.5 hrs by ELISA Rattus norvegicus 120.0 nM
Inhibition of LPS-induced TNFalpha production in rat serum at 3 mg/kg, po administered 30 mins before LPS challenge measured after 1.5 hrs by ELISA Rattus norvegicus 77.0 %
Inhibition of LPS-induced TNFalpha production in human THP1 cells after 2 hrs by ELISA Homo sapiens 25.0 nM
Inhibition of LPS-induced IL-6 production in po dosed rat serum administered 30 mins before LPS challenge measured after 1.5 hrs by ELISA Rattus norvegicus 50.0 nM
Inhibition of TNF-alpha-induced IL-6 production in po dosed rat plasma administered 30 mins before TNFalpha challenge measured after 2 hrs by ELISA Rattus norvegicus 270.0 nM

Related Entries

Cross References

Resources Reference
ChEBI 90685
ChEMBL CHEMBL1090089
FDA SRS 8S2C9V11K4
Guide to Pharmacology 9915
PDB FLW
PubChem 16220188
SureChEMBL SCHEMBL3636701
ZINC ZINC000030691792
CONTENTS