Compound Detail
CHEMBL5791075
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CCn1cc(C(=O)N2CCC3(CC2)CN(c2cncc(N4C(=O)c5ccc(Cl)cc5C4(C)C)c2)C3)cn1
Basic Information
| ChEMBL ID | CHEMBL5791075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUIJWBGMHMJMKI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
519.0
MW (Da)
4.59
ALogP
6
HBA
0
HBD
74.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | EC50 | 8.02 | 8.02 | 9.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 9.64 | nM | 8.02 | G-402 cell line assay: Herein we identified the use of the G-402 cell line as a ... | - |
Data from ChEMBL 36 via Core Engine