Compound Detail
CHEMBL486009
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Basic Information
| ChEMBL ID | CHEMBL486009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDMCODCJMHTFIZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.92
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H187 CHEMBL2366276 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H187 | IC50 | = | 9700.0 | nM | 5.01 | Cytotoxicity against human NCI-H187 cells after 5 days by Resazurin Microplate A... | 20362442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27720556 | 10.1016/j.bmc.2016.09.054 | B16-F10 | 3 |
| 12502337 | 10.1021/np020289t | Unchecked | 1 |
| 12502337 | 10.1021/np020289t | Candida albicans | 1 |
| 12502337 | 10.1021/np020289t | Cryptococcus neoformans | 1 |
| 15568762 | 10.1021/np030530j | Cladosporium cladosporioides | 1 |
| 15568762 | 10.1021/np030530j | Cladosporium sphaerospermum | 1 |
| 8158163 | 10.1021/np50103a003 | KB | 1 |
| 8158163 | 10.1021/np50103a003 | Bacillus subtilis | 1 |
| 8158163 | 10.1021/np50103a003 | Micrococcus luteus | 1 |
| 8158163 | 10.1021/np50103a003 | Escherichia coli | 1 |
| 8158163 | 10.1021/np50103a003 | Biomphalaria glabrata | 1 |
| 20362442 | 10.1016/j.bmcl.2010.03.054 | KB | 1 |
| 20362442 | 10.1016/j.bmcl.2010.03.054 | NCI-H187 | 1 |
| 23567958 | 10.1016/j.ejmech.2013.03.016 | Urease subunit alpha/Urease subunit beta | 1 |
| 27720556 | 10.1016/j.bmc.2016.09.054 | Mushroom tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine