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Compound Detail

CHEMBL290352

CEP-1347
🧪 Phase III
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🧪 Phase III
CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL290352
Name CEP-1347
Phase Phase III
Structure Type MOL
InChI Key SCMLRESZJCKCTC-KMYQRJGFSA-N

Known Names

3,9-bis((ethylthio)methyl)-k-252a Cep-1347 KT-1575 KT-7515 KT7515
8
Targets
21
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names
1
Indications
5
Mechanisms

Molecular Properties

615.8
MW (Da)
6.16
ALogP
9
HBA
2
HBD
94.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C33H33N3O5S2
MW 615.78
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness 0.58

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Mitogen-activated protein kinase kinase kinase 11 inhibitor INHIBITOR Mitogen-activated protein kinase kinase kinase 11 ✓ ✓
Mitogen-activated protein kinase kinase kinase 10 inhibitor INHIBITOR Mitogen-activated protein kinase kinase kinase 10 ✓ ✓
Mitogen-activated protein kinase kinase kinase 9 inhibitor INHIBITOR Mitogen-activated protein kinase kinase kinase 9 ✓ ✓
Mitogen-activated protein kinase kinase kinase 13 inhibitor INHIBITOR Mitogen-activated protein kinase kinase kinase 13 ✓ ✓
Mitogen-activated protein kinase kinase kinase 12 inhibitor INHIBITOR Mitogen-activated protein kinase kinase kinase 12 ✓ ✓

Indications

Parkinson Disease

Activity Summary

IC50 21 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase 10
CHEMBL2873
 IC50 8.7 7.6425 2.0 4
SH-SY5Y
CHEMBL614910
 IC50 8.28 8.28 5.3 1
Mitogen-activated protein kinase kinase kinase 11
CHEMBL2708
 IC50 8.22 7.666 6.0 5
Mitogen-activated protein kinase kinase kinase 9
CHEMBL2872
 IC50 7.42 7.364 38.0 5
Vascular endothelial growth factor receptor 3
CHEMBL1955
 IC50 7.41 7.41 39.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.37 7.37 43.0 1
Protein delta homolog 1
CHEMBL5671
 IC50 6.94 6.94 114.0 2
Vascular endothelial growth factor receptor 1
CHEMBL1868
 IC50 6.68 6.68 209.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase kinase kinase 10 IC50 = 2.0 nM 8.7 Inhibition of MLK2 (unknown origin) after 20 mins in presence of [33P]-ATP 24044867
SH-SY5Y IC50 = 5.3 nM 8.28 Neuroprotective activity against human SH-SY5Y cells assessed as inhibition of M... 18714982
Mitogen-activated protein kinase kinase kinase 11 IC50 = 6.0 nM 8.22 Inhibition of MLK3 (unknown origin) after 20 mins in presence of [33P]-ATP 24044867
Mitogen-activated protein kinase kinase kinase 11 IC50 = 23.1 nM 7.64 Inhibition of Mixed lineage kinase 3 (MLK3) 11755341
Mitogen-activated protein kinase kinase kinase 11 IC50 = 23.0 nM 7.64 Inhibition of recombinant GST-tagged full length human MLK3 KD expressed in bacu... 29863360
Mitogen-activated protein kinase kinase kinase 11 IC50 = 23.0 nM 7.64 Inhibition of N-terminal GST-tagged recombinant MLK3 (unknown origin) expressed ... 38346577
Mitogen-activated protein kinase kinase kinase 9 IC50 = 38.0 nM 7.42 Inhibition of Mixed lineage kinase 1 (MLK1) 11755341
Mitogen-activated protein kinase kinase kinase 9 IC50 = 38.0 nM 7.42 Inhibition of GST-fused human MLK1 18714982
Mitogen-activated protein kinase kinase kinase 9 IC50 = 38.0 nM 7.42 Inhibition of recombinant GST-tagged human MLK1 KD (1 to 500 residues) expressed... 29863360
Mitogen-activated protein kinase kinase kinase 9 IC50 = 38.0 nM 7.42 Inhibition of recombinant GST-tagged MLK1 (unknown origin) expressed in Baculovi... 37247505
Vascular endothelial growth factor receptor 3 IC50 = 39.0 nM 7.41 Inhibition of human VEGFR3 expressed in baculovirus insect cell system 18714982
Vascular endothelial growth factor receptor 2 IC50 = 43.0 nM 7.37 Inhibition of human VEGFR2 expressed in baculovirus insect cell system 18714982
Mitogen-activated protein kinase kinase kinase 10 IC50 = 51.0 nM 7.29 Inhibition of Mixed lineage kinase 2(MLK2) 11755341
Mitogen-activated protein kinase kinase kinase 10 IC50 = 51.0 nM 7.29 Inhibition of recombinant GST-tagged full length human MLK2 KD/LZ expressed in b... 29863360
Mitogen-activated protein kinase kinase kinase 10 IC50 = 51.0 nM 7.29 Inhibition of recombinant GST-tagged MLK2 (unknown origin) expressed in Baculovi... 37247505
Mitogen-activated protein kinase kinase kinase 11 IC50 = 64.0 nM 7.19 Inhibition of GST-fused human MLK3 18714982
Mitogen-activated protein kinase kinase kinase 9 IC50 = 72.0 nM 7.14 Inhibition of GST-fused human MLK1 expressed in CHO cells assessed as MKK4 phosp... 18714982
Protein delta homolog 1 IC50 = 114.0 nM 6.94 Inhibition of human DLK expressed in baculovirus insect cell system 18714982
Protein delta homolog 1 IC50 = 114.0 nM 6.94 Inhibition of DLK (unknown origin) using myelin basic protein as substrate prein... 29863360
Vascular endothelial growth factor receptor 1 IC50 = 209.0 nM 6.68 Inhibition of human VEGFR1 expressed in baculovirus insect cell system 18714982

Literature References

PubMed DOI Target Context # Activities
24044867 10.1021/jm401094t Plasma 3
24044867 10.1021/jm401094t Brain 3
24044867 10.1021/jm401094t Nucleic Acid 3
24044867 10.1021/jm401094t Leucine-rich repeat serine/threonine-protein kinase 2 2
18714982 10.1021/jm8005838 Mitogen-activated protein kinase kinase kinase 9 2
24044867 10.1021/jm401094t Mitogen-activated protein kinase kinase kinase 9 2
24044867 10.1021/jm401094t Mitogen-activated protein kinase kinase kinase 11 2
24044867 10.1021/jm401094t Unchecked 2
39207123 10.1021/acs.jmedchem.4c00577 Mitogen-activated protein kinase kinase kinase 11 2
24044867 10.1021/jm401094t Tyrosine-protein kinase ABL1 2
18714982 10.1021/jm8005838 Mus musculus 1
24044867 10.1021/jm401094t Mitogen-activated protein kinase kinase kinase kinase 4 1
18714982 10.1021/jm8005838 Vascular endothelial growth factor receptor 3 1
18714982 10.1021/jm8005838 Vascular endothelial growth factor receptor 2 1
18714982 10.1021/jm8005838 SH-SY5Y 1
18714982 10.1021/jm8005838 Protein delta homolog 1 1
18714982 10.1021/jm8005838 Mitogen-activated protein kinase kinase kinase 11 1
11755341 10.1016/s0960-894x(01)00690-4 High affinity nerve growth factor receptor 1
11755341 10.1016/s0960-894x(01)00690-4 Protein kinase C (PKC) 1
11755341 10.1016/s0960-894x(01)00690-4 Mitogen-activated protein kinase kinase kinase 11 1

Data from ChEMBL 36 via Core Engine