Compound Detail
CHEMBL3900554
BMS-986142 🧪 Phase II
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🧪 Phase II
Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O
Basic Information
| ChEMBL ID | CHEMBL3900554 |
| Name | BMS-986142 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZRYMMWAJAFUANM-INIZCTEOSA-N |
16
Targets
40
Activities
1
Assay Types
30
PK Parameters
20
Publications
1
Known Names
2
Indications
1
Mechanisms
Molecular Properties
572.6
MW (Da)
4.40
ALogP
6
HBA
3
HBD
123.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Unknown |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tyrosine-protein kinase BTK inhibitor | INHIBITOR | Tyrosine-protein kinase BTK | ✓ | ✓ |
Indications
Arthritis, Rheumatoid Osteoarthritis
Activity Summary
IC50 40 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.39 | 8.4684 | 0.4 | 19 |
| Tyrosine-protein kinase Tec CHEMBL4246 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 7.82 | 7.105 | 15.0 | 2 |
| Tyrosine-protein kinase Blk CHEMBL2250 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Tyrosine-protein kinase TXK CHEMBL4367 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.15 | 6.285 | 71.0 | 2 |
| Tyrosine-protein kinase BTK CHEMBL3259478 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Early activation antigen CD69 CHEMBL3308911 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 4.89 | 4.578 | 13000.0 | 5 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.77 | 4.77 | 17100.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 4.49 | 4.49 | 32200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 22331.79 | ng.hr.mL-1 | Mus musculus |
| AUC | 22331.79 | ng.hr.mL-1 | Mus musculus |
| AUC | 13170.03 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2863.05 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 9161.76 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 4.1 | mL.min-1.kg-1 | Mus musculus |
| CL | 4.2 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 10.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 3.2 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 4900.0 | nM | Mus musculus |
| Cmax | 4900.0 | nM | Mus musculus |
| Cmax | 2300.0 | nM | Rattus norvegicus |
| Cmax | 850.0 | nM | Macaca fascicularis |
| Cmax | 1200.0 | nM | Canis lupus familiaris |
| F | 4.0 | % | Mus musculus |
| F | 93.0 | % | Mus musculus |
| F | 67.0 | % | Rattus norvegicus |
| F | 33.0 | % | Macaca fascicularis |
| F | 100.0 | % | Canis lupus familiaris |
| MRT | 4.8 | hr | Mus musculus |
| MRT | 5.1 | hr | Rattus norvegicus |
| MRT | 4.7 | hr | Macaca fascicularis |
| MRT | 18.0 | hr | Canis lupus familiaris |
| T1/2 | 3.4 | hr | Mus musculus |
| T1/2 | 3.6 | hr | Rattus norvegicus |
| T1/2 | 5.1 | hr | Macaca fascicularis |
| T1/2 | 13.0 | hr | Canis lupus familiaris |
| Tmax | 1.0 | hr | Mus musculus |
| Tmax | 3.0 | hr | Rattus norvegicus |
| Tmax | 3.7 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine