Compound Detail
CHEMBL4093031
BMS-929075 Phase I
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Phase I
CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)CC4)ccc3C)c(F)c12
Basic Information
| ChEMBL ID | CHEMBL4093031 |
| Name | BMS-929075 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | LZAUGCMVNLZVJV-UHFFFAOYSA-N |
4
Targets
12
Activities
2
Assay Types
14
PK Parameters
18
Publications
1
Known Names
1
Indications
Molecular Properties
538.5
MW (Da)
5.92
ALogP
5
HBA
2
HBD
97.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Hepatitis C, Chronic
Activity Summary
EC50 9 meas. best 8.7
IC50 3 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 8.7 | 7.8613 | 2.0 | 8 |
| Unchecked CHEMBL612545 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.75 | 4.685 | 18000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 75504.71 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 29350.97 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 1.7 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 14700.0 | nM | Rattus norvegicus |
| Cmax | 7500.0 | nM | Rattus norvegicus |
| F | 48.0 | % | Rattus norvegicus |
| F | 100.0 | % | Rattus norvegicus |
| T1/2 | 2.0 | hr | Macaca mulatta |
| T1/2 | 2.0 | hr | Canis lupus familiaris |
| T1/2 | 2.0 | hr | Rattus norvegicus |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 4.7 | hr | Rattus norvegicus |
| Tmax | 4.0 | hr | Rattus norvegicus |
| Tmax | 4.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine