Compound Detail
CHEMBL1977570
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Basic Information
| ChEMBL ID | CHEMBL1977570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFFQWMIGPWGSAG-FRKPEAEDSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
250.7
MW (Da)
2.72
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.65 | 5.2433 | 2262.0 | 3 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.42 | 5.42 | 3812.0 | 1 |
| BJ CHEMBL614358 | EC50 | 4.96 | 4.94 | 10995.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2262.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Luciferin 4-monooxygenase | EC50 | = | 3812.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 7474.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Luminescent Cell-Based Dose Titration Retest Counterscreen to ... | - |
| BJ | EC50 | = | 10995.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | EC50 | = | 11346.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 11931.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
Data from ChEMBL 36 via Core Engine