Compound Detail
CHEMBL4110889
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
Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(N3CC[C@@H](F)C3)n2)n1
Basic Information
| ChEMBL ID | CHEMBL4110889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVNSJOMOSKNWOV-BRWVUGGUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.38
ALogP
8
HBA
0
HBD
77.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | Ki | 9.24 | 9.24 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Ki | = | 0.58 | nM | 9.24 | Fluorescence Polarization Assay: In a typical experiment the PDE10 inhibitory ac... | - |
Data from ChEMBL 36 via Core Engine