TALMAPIMOD

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Synonyms
Status
Molecule Category Free-form
UNII B1E00KQ6NT

Structure

InChI Key ZMELOYOKMZBMRB-DLBZAZTESA-N
Smiles C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl
InChI
InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H30ClFN4O3
Molecular Weight 513.01
AlogP 3.98
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 65.86
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
MAP kinase p38 alpha inhibitor INHIBITOR PubMed PubMed 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 p38 subfamily
- 9-98 0.48-15 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
20-300 9-300 - - -

Target Conservation

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

Cross References

Resources Reference
ChEBI 90683
ChEMBL CHEMBL514201
DrugBank DB05412
FDA SRS B1E00KQ6NT
Guide to Pharmacology 7817
PDB 469
PubChem 9871074
SureChEMBL SCHEMBL4779242
ZINC ZINC000034001955
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