Compound Detail
CHEMBL1998338
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O=C(C(O)c1ccc(Br)cc1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1998338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXYDEESHKJBBIT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL241271 |
| Active Moiety | CHEMBL241271 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
429.3
MW (Da)
3.46
ALogP
4
HBA
3
HBD
81.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.17 | 5.17 | 6680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 6680.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... | - |
Data from ChEMBL 36 via Core Engine