Compound Detail
CHEMBL5173261
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Basic Information
| ChEMBL ID | CHEMBL5173261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMRWHNJPGWUXAX-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
412.9
MW (Da)
5.17
ALogP
6
HBA
0
HBD
65.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KG-1 CHEMBL612264 | IC50 | 6.27 | 6.27 | 536.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 6.13 | 6.13 | 743.0 | 1 |
| KG-1a CHEMBL4296453 | IC50 | 6.06 | 6.06 | 876.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 4.81 | 4.81 | 15361.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 4.31 | 4.31 | 48660.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.3 | 4.3 | 50631.0 | 1 |
| NOMO-1 CHEMBL2366198 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KG-1 | IC50 | = | 536.0 | nM | 6.27 | Antiproliferative activity against human KG-1 cells assessed as cell growth inhi... | 35339838 |
| MOLT-4 | IC50 | = | 743.0 | nM | 6.13 | Antiproliferative activity against human MOLT-4 cells assessed as cell growth in... | 35339838 |
| KG-1a | IC50 | = | 876.0 | nM | 6.06 | Antiproliferative activity against human KG-1a cells assessed as cell growth inh... | 35339838 |
| MOLM-13 | IC50 | = | 15361.0 | nM | 4.81 | Antiproliferative activity against human MOLM-13 cells assessed as cell growth i... | 35339838 |
| MV4-11 | IC50 | = | 48660.0 | nM | 4.31 | Antiproliferative activity against human MV4-11 cells assessed as cell growth in... | 35339838 |
| K562 | IC50 | = | 50631.0 | nM | 4.3 | Antiproliferative activity against human K562 cells assessed as cell growth inhi... | 35339838 |
| NOMO-1 | IC50 | = | 90000.0 | nM | 4.05 | Antiproliferative activity against human NOMO-1 cells assessed as cell growth in... | 35339838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35339838 | 10.1016/j.ejmech.2022.114292 | MOLT-4 | 1 |
| 35339838 | 10.1016/j.ejmech.2022.114292 | HL-60 | 1 |
| 35339838 | 10.1016/j.ejmech.2022.114292 | KG-1 | 1 |
| 35339838 | 10.1016/j.ejmech.2022.114292 | MOLM-13 | 1 |
| 35339838 | 10.1016/j.ejmech.2022.114292 | MV4-11 | 1 |
| 35339838 | 10.1016/j.ejmech.2022.114292 | KG-1a | 1 |
| 35339838 | 10.1016/j.ejmech.2022.114292 | NOMO-1 | 1 |
| 35339838 | 10.1016/j.ejmech.2022.114292 | OCI-AML2 | 1 |
| 35339838 | 10.1016/j.ejmech.2022.114292 | Unchecked | 1 |
| 35339838 | 10.1016/j.ejmech.2022.114292 | THP-1 | 1 |
| 35339838 | 10.1016/j.ejmech.2022.114292 | K562 | 1 |
| 35339838 | 10.1016/j.ejmech.2022.114292 | KCL-22 | 1 |
Data from ChEMBL 36 via Core Engine