Compound Detail
CHEMBL179670
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Basic Information
| ChEMBL ID | CHEMBL179670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYYVIVSQVMCGQF-MDZDMXLPSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
4.37
ALogP
4
HBA
0
HBD
32.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.51 | 5.51 | 3090.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.51 | 5.51 | 3090.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.51 | 5.51 | 3090.0 | 1 |
| P388 CHEMBL389 | IC50 | 5.51 | 5.51 | 3090.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.51 | 5.51 | 3090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 3090.0 | nM | 5.51 | Inhibitory concentration value against murine P-388 tumor cell line | 15658869 |
| A549 | IC50 | = | 3090.0 | nM | 5.51 | Inhibitory concentration value against human A-549 tumor cell line | 15658869 |
| HT-29 | IC50 | = | 3090.0 | nM | 5.51 | Inhibitory concentration value against human colon adenocarcinoma HT-29 tumor ce... | 15658869 |
| NON-PROTEIN TARGET | IC50 | = | 3090.0 | nM | 5.51 | Inhibitory concentration value against human MEL-28 or human cancer HeLa tumor c... | 15658869 |
| HL-60 | IC50 | = | 3090.0 | nM | 5.51 | Inhibitory concentration value against human colon carcinoma H-116 or human canc... | 15658869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658869 | 10.1021/jm0310737 | P388 | 1 |
| 15658869 | 10.1021/jm0310737 | A549 | 1 |
| 15658869 | 10.1021/jm0310737 | HT-29 | 1 |
| 15658869 | 10.1021/jm0310737 | NON-PROTEIN TARGET | 1 |
| 15658869 | 10.1021/jm0310737 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine