Compound Detail
CHEMBL4594432
LY-3200882 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL4594432 |
| Name | LY-3200882 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | PNPFMWIDAKQFPY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
22
PK Parameters
7
Publications
3
Known Names
2
Indications
Molecular Properties
435.5
MW (Da)
4.67
ALogP
8
HBA
2
HBD
94.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Neoplasms Neoplasms
Activity Summary
IC50 4 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.66 | 7.5 | 22.0 | 3 |
| TGF-beta receptor type-1 CHEMBL2021750 | IC50 | 7.08 | 7.08 | 82.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9949.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 20232.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 4864.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1658.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 211.7 | ng.hr.mL-1 | Mus musculus |
| AUC | 943.9 | ng.hr.mL-1 | Mus musculus |
| AUC | 211.7 | ng.hr.mL-1 | Mus musculus |
| AUC | 943.9 | ng.hr.mL-1 | Mus musculus |
| AUC | 9949.2 | ng.hr.mL-1 | Mus musculus |
| AUC | 20232.3 | ng.hr.mL-1 | Mus musculus |
| AUC | 1658.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 4864.4 | ng.hr.mL-1 | Mus musculus |
| CL | 86.67 | mL.min-1.kg-1 | Mus musculus |
| CL | 86.67 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 1715.15 | nM | Mus musculus |
| Cmax | 1715.15 | nM | Mus musculus |
| F | 45.6 | % | Mus musculus |
| F | 45.6 | % | Mus musculus |
| T1/2 | 0.4 | hr | Mus musculus |
| T1/2 | 1.1 | hr | Mus musculus |
| T1/2 | 0.4 | hr | Mus musculus |
| T1/2 | 1.1 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 22.0 | nM | 7.66 | TGFβR1 Kinase Inhibition Assay: TGFβR1 kinase assay was performed according to t... | - |
| TGF-beta receptor type-1 | IC50 | = | 38.2 | nM | 7.42 | Inhibition of ALK5 (unknown origin) measured after 120 mins of incubation by ADP... | 32387837 |
| TGF-beta receptor type-1 | IC50 | = | 38.2 | nM | 7.42 | Inhibition of TGFbetaR1 (unknown origin) | 38626523 |
| TGF-beta receptor type-1 | IC50 | = | 82.9 | nM | 7.08 | Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad... | 32387837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35051574 | 10.1016/j.bmcl.2022.128552 | ADMET | 12 |
| 32387837 | 10.1016/j.ejmech.2020.112354 | ADMET | 8 |
| 32631540 | 10.1016/j.bmcl.2020.127339 | ADMET | 5 |
| 32631540 | 10.1016/j.bmcl.2020.127339 | H22 | 2 |
| 32387837 | 10.1016/j.ejmech.2020.112354 | TGF-beta receptor type-1 | 2 |
| 35051574 | 10.1016/j.bmcl.2022.128552 | Unchecked | 2 |
| 38626523 | 10.1016/j.ejmech.2024.116395 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine