Compound Detail
CHEMBL1521705
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CCOC(=O)N1CCN(C(=O)c2cn(CC)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)CC1.Cl
Basic Information
| ChEMBL ID | CHEMBL1521705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYAHZTNFCKAQDL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1623004 |
| Active Moiety | CHEMBL1623004 |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
1.83
ALogP
7
HBA
0
HBD
78.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.0967 | 3420.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3420.0 | nM | 5.47 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 7670.0 | nM | 5.12 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 8510.0 | nM | 5.07 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 12040.0 | nM | 4.92 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
| Unchecked | IC50 | = | 20310.0 | nM | 4.69 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
Data from ChEMBL 36 via Core Engine