Compound Detail
CHEMBL6051877
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C[C@@H]1CNC[C@H](C)N1c1ccc(-c2cnc3c(-c4cccc5[nH]c(=O)ccc45)cnn3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL6051877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJDLQMXEEQORLU-HDICACEKSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
4.09
ALogP
6
HBA
2
HBD
78.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 7.18 | 7.18 | 66.0 | 2 |
| Activin receptor type-1-like CHEMBL5311 | IC50 | 6.08 | 6.08 | 834.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.08 | 6.08 | 834.0 | 1 |
| Bone morphogenetic protein receptor type-1B CHEMBL5476 | IC50 | 4.68 | 4.68 | 20660.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 66.0 | nM | 7.18 | ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... | - |
| Activin receptor type-1 | IC50 | = | 66.0 | nM | 7.18 | Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ... | - |
| Unchecked | IC50 | = | 834.0 | nM | 6.08 | ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... | - |
| Activin receptor type-1-like | IC50 | = | 834.0 | nM | 6.08 | Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ... | - |
| Bone morphogenetic protein receptor type-1B | IC50 | = | 20660.0 | nM | 4.68 | ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... | - |
| Bone morphogenetic protein receptor type-1B | IC50 | = | 20660.0 | nM | 4.68 | Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ... | - |
Data from ChEMBL 36 via Core Engine