Compound Detail
CHEMBL1209734
BMS-986094 🧪 Phase II
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🧪 Phase II
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc23)[C@@H](O)[C@@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL1209734 |
| Name | BMS-986094 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YFXGICNMLCGLHJ-RSKRLRQZSA-N |
| Active Moiety | CHEMBL3422648 |
1
Targets
7
Activities
1
Assay Types
3
PK Parameters
20
Publications
5
Known Names
1
Indications
1
Mechanisms
Molecular Properties
658.6
MW (Da)
3.35
ALogP
14
HBA
4
HBD
202.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| RNA-directed RNA polymerase inhibitor | INHIBITOR | RNA-directed RNA polymerase | ✓ | ✓ |
Indications
Hepatitis C
Activity Summary
EC50 7 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 8.0 | 7.4743 | 10.0 | 7 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 17.12 | ng.hr.mL-1 | Macaca fascicularis |
| Cmax | 1446.7 | ng/g | Rattus norvegicus |
| Tmax | 8.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 10.0 | nM | 8.0 | Antiviral activity against HCV genotype 1b in Huh7 cells assessed as inhibition ... | 20637609 |
| Hepatitis C virus | EC50 | = | 10.0 | nM | 8.0 | Antiviral activity against Hepatitis C virus subtype 1b replicon in human HuH7 c... | 21856153 |
| Hepatitis C virus | EC50 | = | 10.0 | nM | 8.0 | Antiviral activity against Hepatitis C virus assessed as inhibition of viral rep... | 23453067 |
| Hepatitis C virus | EC50 | = | 20.0 | nM | 7.7 | Antiviral activity against HCV infected in human HuH7 cells assessed as reductio... | 25849312 |
| Hepatitis C virus | EC50 | = | 20.0 | nM | 7.7 | Antiviral activity against HCV infected in HuH7 Clone B cells assessed as inhibi... | 26819659 |
| Hepatitis C virus | EC50 | = | 35.0 | nM | 7.46 | Antiviral activity against HCV assessed as reduction in viral replication by mea... | 35291757 |
| Hepatitis C virus | EC50 | = | 3500.0 | nM | 5.46 | Antiviral activity against HCV assessed as reduction in viral replication by mea... | 35291757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25849312 | 10.1021/jm501874e | HepG2 | 7 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 4 |
| 22039920 | 10.1021/jm2011673 | Liver | 4 |
| 21856153 | 10.1016/j.bmcl.2011.06.013 | Hepatitis C virus | 3 |
| 35291757 | 10.1021/acsmedchemlett.1c00624 | Hepatitis C virus | 2 |
| 26819659 | 10.1021/acsmedchemlett.5b00402 | Hepatitis C virus | 2 |
| 25849312 | 10.1021/jm501874e | Hepatitis C virus | 2 |
| 20637609 | 10.1016/j.bmcl.2010.06.094 | Hepatitis C virus | 2 |
| 25849312 | 10.1021/jm501874e | ADMET | 1 |
| 26819659 | 10.1021/acsmedchemlett.5b00402 | Vero | 1 |
| 26819659 | 10.1021/acsmedchemlett.5b00402 | CCRF-CEM | 1 |
| 35291757 | 10.1021/acsmedchemlett.1c00624 | ADMET | 1 |
| 25849312 | 10.1021/jm501874e | Vero | 1 |
| 25849312 | 10.1021/jm501874e | CCRF-CEM | 1 |
| 25849312 | 10.1021/jm501874e | PBMC | 1 |
| 23453067 | 10.1016/j.bmcl.2012.12.004 | Hepatitis C virus | 1 |
| 23453067 | 10.1016/j.bmcl.2012.12.004 | Huh-7 | 1 |
| 21856153 | 10.1016/j.bmcl.2011.06.013 | Huh-7 | 1 |
| 20637609 | 10.1016/j.bmcl.2010.06.094 | Hepatocyte | 1 |
| 20637609 | 10.1016/j.bmcl.2010.06.094 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine