Compound Detail
CHEMBL4224963
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
CN(Cc1ccc(OCCCNC(=N)N)cc1)c1nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2s1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4224963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDTJCTRFSNKTCS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4300207 |
| Active Moiety | CHEMBL4300207 |
0
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
529.6
MW (Da)
6.00
ALogP
6
HBA
3
HBD
96.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 24.0 | hr | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29622412 | 10.1016/j.bmc.2018.03.031 | ADMET | 2 |
| 29622412 | 10.1016/j.bmc.2018.03.031 | Voltage-dependent N-type calcium channel subunit alpha-1B | 1 |
| 29622412 | 10.1016/j.bmc.2018.03.031 | Voltage-dependent T-type calcium channel subunit alpha-1H | 1 |
Data from ChEMBL 36 via Core Engine