Compound Detail
CHEMBL1400955
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Basic Information
| ChEMBL ID | CHEMBL1400955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXNUGCLBXHXRTP-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
336.2
MW (Da)
5.94
ALogP
3
HBA
0
HBD
26.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.42
EC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.42 | 4.325 | 38060.0 | 2 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.16 | 4.16 | 69400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein skinhead-1 | IC50 | = | 38060.0 | nM | 4.42 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Protein skinhead-1 | IC50 | = | 59200.0 | nM | 4.23 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 69400.0 | nM | 4.16 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
Data from ChEMBL 36 via Core Engine