Compound Detail
CHEMBL1232979
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Basic Information
| ChEMBL ID | CHEMBL1232979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHKWXDCSAKJQKM-SRQGCSHVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
-2.34
ALogP
5
HBA
4
HBD
93.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.17
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| Chlamydia pneumoniae CHEMBL612694 | IC50 | 4.17 | 4.17 | 67200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 500.0 | nM | 6.3 | Inhibition of jack bean beta hexosaminidase | 23363020 |
| Chlamydia pneumoniae | IC50 | = | 67200.0 | nM | 4.17 | Antichlamydial activity against Chlamydia pneumoniae K7 infected in HL cells aft... | 29043803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23363020 | 10.1021/jm301557k | Unchecked | 2 |
| 29043803 | 10.1021/acs.jnatprod.6b01052 | Chlamydia pneumoniae | 2 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 29043803 | 10.1021/acs.jnatprod.6b01052 | HL | 1 |
Data from ChEMBL 36 via Core Engine