Compound Detail
CHEMBL1076438
LECANINDOLE D Enter ChEMBL ID:
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CC1(C)[C@H](O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O
Basic Information
| ChEMBL ID | CHEMBL1076438 |
| Name | LECANINDOLE D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJRNEHJGTLWRJJ-BVYMYZFFSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
4.31
ALogP
2
HBA
3
HBD
56.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.26
EC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 8.96 | 8.96 | 1.1 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 8.26 | 7.75 | 5.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 1.1 | nM | 8.96 | Activation of progesterone receptor in human T47D cells after 20 hrs by PRE-tagg... | 19863083 |
| Progesterone receptor | IC50 | = | 5.5 | nM | 8.26 | Displacement of progesterone from progesterone receptor in human T47D cells afte... | 19863083 |
| Progesterone receptor | IC50 | = | 57.3 | nM | 7.24 | Displacement of [3H]progesterone from progesterone receptor in human T47D cells ... | 19863083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19863083 | 10.1021/np9004882 | Progesterone receptor | 6 |
| 19863083 | 10.1021/np9004882 | Estrogen receptor | 4 |
| 19863083 | 10.1021/np9004882 | Androgen receptor | 3 |
| 19863083 | 10.1021/np9004882 | Glucocorticoid receptor | 3 |
| 19863083 | 10.1021/np9004882 | Mineralocorticoid receptor | 3 |
| 19863083 | 10.1021/np9004882 | Estrogen receptor beta | 3 |
Data from ChEMBL 36 via Core Engine