Compound Detail
CHEMBL3933007
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Cc1c([C@H](C)[C@H]2CC[C@H](C)CN2)ccc2c1C[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL3933007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSMHPYDCTDZJLV-CGARSJMXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
393.6
MW (Da)
5.62
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 630.0 | nM | 6.2 | Inhibition of hedgehog signaling pathway in mouse Shh Light2 cells assessed as i... | 27567371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27567371 | 10.1016/j.bmcl.2016.08.040 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine