Compound Detail
CHEMBL5874649
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CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](OC(=O)CNCc5ccccc5)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(C(=O)OCc3ccccc3)[C@H]1[C@H]2C
Basic Information
| ChEMBL ID | CHEMBL5874649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEKZSQYAEWRBCK-MPRNAZGESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
709.0
MW (Da)
8.86
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type | EC50 | = | 60.0 | nM | 7.22 | Alkaline Phosphatase Assay: C3H10T1/2 cells were plated in 96 wells with a densi... | - |
Data from ChEMBL 36 via Core Engine