Compound Detail
CHEMBL3985859
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CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(OC[C@@H]4CCC(=O)N4)ccnc32)C1
Basic Information
| ChEMBL ID | CHEMBL3985859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKPRIXZNIVOGOP-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
552.0
MW (Da)
2.51
ALogP
7
HBA
2
HBD
122.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase catalytic subunit CHEMBL3414 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase catalytic subunit | IC50 | = | 62.0 | nM | 7.21 | HCMV Polymerase LANCE TR-FRET Assay: The assay conditions are the following: 10 ... | - |
Data from ChEMBL 36 via Core Engine