Compound Detail
CHEMBL3192400
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 | CHEMBL3192400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFKPOHYPSCNWCD-YBFXNURJSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
1.60
ALogP
7
HBA
4
HBD
139.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.28
EC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.28 | 5.28 | 5307.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.27 | 5.27 | 5359.4 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.17 | 5.17 | 6680.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.13 | 5.13 | 7327.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.1 | 4.055 | 78920.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 5307.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 5359.4 | nM | 5.27 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Unchecked | EC50 | = | 6680.0 | nM | 5.17 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 7327.53 | nM | 5.13 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | IC50 | = | 78920.0 | nM | 4.1 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 98560.0 | nM | 4.01 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
Data from ChEMBL 36 via Core Engine