Compound Detail
CHEMBL1979957
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1979957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFMNRVRJCACEGK-PZFQXLDKSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
2.82
ALogP
9
HBA
3
HBD
99.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.6
EC50 2 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2529.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.29 | 5.29 | 5174.3 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.04 | 5.04 | 9166.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | EC50 | 4.71 | 4.71 | 19286.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.62 | 4.62 | 23821.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 4.41 | 4.41 | 38850.1 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.32 | 4.32 | 48400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2529.0 | nM | 5.6 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 5174.31 | nM | 5.29 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| No relevant target | IC50 | = | 9166.0 | nM | 5.04 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
| Neuropeptide Y receptor type 2 | EC50 | = | 19286.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for agonists of NPY-Y1: cell-... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 23821.0 | nM | 4.62 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Calpain-2 catalytic subunit | IC50 | = | 38850.11 | nM | 4.41 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Unchecked | EC50 | = | 48400.0 | nM | 4.32 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine