Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S98NFM1378

Structure

InChI Key MCUJKPPARUPFJM-LDADJPATSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 1 D008223 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545423
FDA SRS S98NFM1378
PubChem 58423153
SureChEMBL SCHEMBL16468731