AZD-1208

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Synonyms
Status
Molecule Category Free-form
UNII S98NFM1378

Structure

InChI Key MCUJKPPARUPFJM-LDADJPATSA-N
Smiles NC1CCCN(c2c(/C=C3/SC(=O)NC3=O)cccc2-c2ccccc2)C1
InChI
InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12+

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21N3O2S
Molecular Weight 379.49
AlogP 3.61
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 75.43
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Serine/threonine-protein kinase PIM inhibitor INHIBITOR PubMed

Target Conservation

Protein: Serine/threonine-protein kinase PIM
Description: Serine/threonine-protein kinase pim-1
Organism : Homo sapiens
P11309 ENSG00000137193
Protein: Serine/threonine-protein kinase PIM
Description: Serine/threonine-protein kinase pim-3
Organism : Homo sapiens
Q86V86 ENSG00000198355
Protein: Serine/threonine-protein kinase PIM
Description: Serine/threonine-protein kinase pim-2
Organism : Homo sapiens
Q9P1W9 ENSG00000102096

Cross References

Resources Reference
ChEMBL CHEMBL3545423
FDA SRS S98NFM1378
PubChem 58423153
SureChEMBL SCHEMBL16468731
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