Compound Detail
CHEMBL93393
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
C=CCNC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@](C)(C=C)O[C@]12C
Basic Information
| ChEMBL ID | CHEMBL93393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNJZMSPKIZZLPD-PNUNPAGSSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
451.6
MW (Da)
1.87
ALogP
7
HBA
4
HBD
125.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.62
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenylate cyclase type 1 CHEMBL2899 | IC50 | 6.8 | 6.8 | 157.0 | 1 |
| Adenylate cyclase type 1 CHEMBL2899 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenylate cyclase type 1 | IC50 | = | 157.0 | nM | 6.8 | Inhibition of [125 I]6-IHPP-forskolin binding to adenylate cyclase 1 | 8709105 |
| Adenylate cyclase type 1 | EC50 | = | 2400.0 | nM | 5.62 | Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1 | 8709105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709105 | 10.1021/jm960191+ | Adenylate cyclase type 1 | 5 |
Data from ChEMBL 36 via Core Engine