Compound Detail
CHEMBL4849329
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
Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21
Basic Information
| ChEMBL ID | CHEMBL4849329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGLQOTZNBCEHHB-GXTWGEPZSA-N |
4
Targets
16
Activities
2
Assay Types
10
PK Parameters
16
Publications
0
Known Names
Molecular Properties
412.8
MW (Da)
2.46
ALogP
9
HBA
0
HBD
100.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 15 meas. best 9.06
EC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 9.06 | 8.4382 | 0.9 | 11 |
| Unchecked CHEMBL612545 | IC50 | 9.05 | 8.4433 | 0.9 | 3 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 7.28 | 7.28 | 53.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 17.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 89.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 5.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 14.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 17.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 29.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 6.2 | mL.min-1.kg-1 | Homo sapiens |
| F | 90.0 | % | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33749283 | 10.1021/acs.jmedchem.0c02023 | ADMET | 12 |
| 34413952 | 10.1021/acsmedchemlett.1c00305 | ADMET | 9 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | Transient receptor potential cation channel subfamily A member 1 | 4 |
| 34413952 | 10.1021/acsmedchemlett.1c00305 | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | Unchecked | 3 |
| 34413952 | 10.1021/acsmedchemlett.1c00305 | No relevant target | 2 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | No relevant target | 2 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | Rattus norvegicus | 1 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | Transient receptor potential cation channel subfamily M member 8 | 1 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | Short transient receptor potential channel 6 | 1 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | Sodium channel protein type 5 subunit alpha | 1 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | Cavia porcellus | 1 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | Cytochrome P450 3A4 | 1 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine