Compound Detail
CHEMBL1599994
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Basic Information
| ChEMBL ID | CHEMBL1599994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVCOSFGUZDERBQ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.75
ALogP
6
HBA
2
HBD
114.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
EC50 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.98 | 6.98 | 104.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.45 | 1571.0 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.43 | 5.43 | 3699.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.3 | 4.3 | 49760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 104.0 | nM | 6.98 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | IC50 | = | 1571.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 3699.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| Unchecked | IC50 | = | 7972.0 | nM | 5.1 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Aminopeptidase N | IC50 | = | 49760.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine