Compound Detail
CHEMBL1800285
MSD-M1PAM Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1800285 |
| Name | MSD-M1PAM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJTJRVASUFIDQM-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
9
PK Parameters
20
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
2.45
ALogP
6
HBA
1
HBD
98.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.0
Ki 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.0 | 5.0 | 10000.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 5.0 | 5.0 | 10000.0 | 3 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.04 | 4.04 | 91500.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 7.4 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 17.0 | mL.min-1.kg-1 | Macaca mulatta |
| F | 68.0 | % | Rattus norvegicus |
| F | 62.0 | % | Canis lupus familiaris |
| F | 55.0 | % | Macaca mulatta |
| T1/2 | 1.7 | hr | Rattus norvegicus |
| T1/2 | 4.4 | hr | Canis lupus familiaris |
| T1/2 | 3.6 | hr | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 10000.0 | nM | 5.0 | Protein Tyrosine Phosphatase, PTPN2 (TCPTP) Eurofins-Panlabs enzyme assay | - |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 10000.0 | nM | 5.0 | Panlabs assay | - |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 10000.0 | nM | 5.0 | Selectivity interaction (Enzyme panel (Panlabs screen)) EUB0000252b PTPN2 | - |
| 5-hydroxytryptamine receptor 7 | Ki | = | 10000.0 | nM | 5.0 | GPCRScan assay: inhibition of 5-HT7A | - |
| 5-hydroxytryptamine receptor 7 | Ki | = | 10000.0 | nM | 5.0 | GPCRScan assay: inhibition of 5-HT7A | - |
| Protein kinase C alpha type | IC50 | = | 91500.0 | nM | 4.04 | Inhibition of Protein Serine/Threonine Kinase, PRKCA (PKCα) at 10 µM in the Euro... | - |
| Protein kinase C alpha type | IC50 | = | 91500.0 | nM | 4.04 | Inhibition of Protein Serine/Threonine Kinase, PRKCA (PKCα) at 10 µM in the Euro... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4507295 | Unchecked | 57 |
| - | 10.6019/CHEMBL4507295 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL4507295 | Epidermal growth factor receptor | 13 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507295 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4507295 | Protein kinase C alpha type | 10 |
| - | 10.6019/CHEMBL4507295 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | U2OS | 9 |
| - | 10.6019/CHEMBL4507295 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 8 |
| 21682298 | 10.1021/jm200400m | Muscarinic acetylcholine receptor M1 | 7 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.6019/CHEMBL4507295 | Tyrosine-protein phosphatase non-receptor type 2 | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| 21682298 | 10.1021/jm200400m | ADMET | 5 |
| - | 10.6019/CHEMBL4507295 | Muscarinic acetylcholine receptor M1 | 4 |
| 21682298 | 10.1021/jm200400m | Mus musculus | 4 |
| - | 10.6019/CHEMBL4507295 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
Data from ChEMBL 36 via Core Engine