Compound Detail
CHEMBL272471
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COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccccc2C(F)(F)F)nc2sccn12
Basic Information
| ChEMBL ID | CHEMBL272471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPLQRALNMBFLCZ-UHFFFAOYSA-N |
1
Targets
6
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
491.5
MW (Da)
4.66
ALogP
8
HBA
1
HBD
81.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Ki 2 meas. best 7.31
EC50 1 meas. best 7.03
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 49.0 | nM | 7.31 | Displacement of [3H]-PN200-110 from L-type calcium channel in Hartley guinea pig... | 23586669 |
| Unchecked | EC50 | = | 93.0 | nM | 7.03 | Inotropic activity at L type calcium channel in guinea pig left atrium assessed ... | 18303827 |
| Unchecked | IC50 | = | 140.0 | nM | 6.85 | Displacement of [3H]-PN200-110 from L-type calcium channel in Hartley guinea pig... | 23586669 |
| Unchecked | IC50 | = | 1660.0 | nM | 5.78 | Activity at L type calcium channel in K+ depolarized guinea pig longitudinal smo... | 18303827 |
| Unchecked | Ki | = | 13900.0 | nM | 4.86 | Displacement of [3H]-PN200-110 from L-type calcium channel dihydropyridine bindi... | 23586669 |
| Unchecked | IC50 | = | 38600.0 | nM | 4.41 | Displacement of [3H]-PN200-110 from L-type calcium channel dihydropyridine bindi... | 23586669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23586669 | 10.1021/jm301839q | Unchecked | 8 |
| 18303827 | 10.1021/jm070681+ | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine