Compound Detail
CHEMBL1599800
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Basic Information
| ChEMBL ID | CHEMBL1599800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFFFKQAKRBWBMF-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.07
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.01
IC50 1 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.01 | 5.2767 | 971.0 | 3 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.04 | 5.04 | 9080.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.93 | 4.93 | 11780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 971.0 | nM | 6.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Neurotensin receptor type 1 | EC50 | = | 9080.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| Unchecked | IC50 | = | 11780.0 | nM | 4.93 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | EC50 | = | 11915.0 | nM | 4.92 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 12707.0 | nM | 4.9 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine