CEP-1347

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 200HA2LIMK

Structure
InChI Key SCMLRESZJCKCTC-KMYQRJGFSA-N
Smile CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O
InChI
InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H33N3O5S2
Molecular Weight 615.78
AlogP 6.16
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 94.72
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 43.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Mitogen-activated protein kinase kinase kinase 10 inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase AMPK subfamily
- - - - 98
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase BRSK subfamily
- - - - 94
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK2 family
- - - - 84
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase LRRK family
- - - - 98-100
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- 38-72 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 209 - - -
Unclassified protein
- 114-114 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 2 D010300 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL290352
FDA SRS 200HA2LIMK
Guide to Pharmacology 8173
PubChem 9917013
SureChEMBL SCHEMBL12047710
ZINC ZINC000003928304
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