Compound Detail
CHEMBL270694
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Basic Information
| ChEMBL ID | CHEMBL270694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIINDWQYGMTCQG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
3.03
ALogP
7
HBA
1
HBD
84.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2100.0 | nM | 5.68 | Antiproliferative activity against human Molt4/C8 cells | 18260616 |
| CCRF-CEM | IC50 | = | 3900.0 | nM | 5.41 | Antiproliferative activity against human CEM cells | 18260616 |
| L1210 | IC50 | = | 4200.0 | nM | 5.38 | Antiproliferative activity against mouse L1210 cells | 18260616 |
| FM3A | IC50 | = | 5200.0 | nM | 5.28 | Antiproliferative activity against mouse FM3A cells | 18260616 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of bovine tubulin polymerization after 20 mins | 18260616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18260616 | 10.1021/jm7011547 | Unchecked | 2 |
| 18260616 | 10.1021/jm7011547 | L1210 | 1 |
| 18260616 | 10.1021/jm7011547 | NON-PROTEIN TARGET | 1 |
| 18260616 | 10.1021/jm7011547 | CCRF-CEM | 1 |
| 18260616 | 10.1021/jm7011547 | FM3A | 1 |
Data from ChEMBL 36 via Core Engine