Compound Detail
CHEMBL155539
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Basic Information
| ChEMBL ID | CHEMBL155539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUKFHMCTPWIOSR-IWGRKNQJSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
3.77
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 6.55 | 6.06 | 280.0 | 2 |
| L1210 CHEMBL386 | IC50 | 6.55 | 5.74 | 280.0 | 2 |
| P388 CHEMBL389 | IC50 | 6.55 | 6.36 | 280.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.64 | 5.64 | 2270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 280.0 | nM | 6.55 | Antiproliferative activity against mouse P388 cells assessed as cell growth inhi... | 32172081 |
| L1210 | IC50 | = | 280.0 | nM | 6.55 | Antiproliferative activity against mouse L1210 cells assessed as cell growth inh... | 32172081 |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Antiproliferative activity against human Molt 4/C8 cells assessed as cell growth... | 32172081 |
| CCRF-CEM | IC50 | = | 280.0 | nM | 6.55 | Antiproliferative activity against human CEM cells assessed as cell growth inhib... | 32172081 |
| P388 | IC50 | = | 680.0 | nM | 6.17 | Cytotoxicity against murine P388 cells. | 11170648 |
| NON-PROTEIN TARGET | IC50 | = | 2270.0 | nM | 5.64 | Cytotoxicity against human Molt 4/C8 cells. | 11170648 |
| CCRF-CEM | IC50 | = | 2670.0 | nM | 5.57 | Cytotoxicity against CEM T-lymphocytes. | 11170648 |
| L1210 | IC50 | = | 11800.0 | nM | 4.93 | Cytotoxicity against murine L1210 cells. | 11170648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17499885 | 10.1016/j.ejmech.2007.03.010 | ADMET | 3 |
| 11170648 | 10.1021/jm0002580 | P388 | 1 |
| 11170648 | 10.1021/jm0002580 | L1210 | 1 |
| 11170648 | 10.1021/jm0002580 | NON-PROTEIN TARGET | 1 |
| 11170648 | 10.1021/jm0002580 | CCRF-CEM | 1 |
| 11170648 | 10.1021/jm0002580 | Unchecked | 1 |
| 17499885 | 10.1016/j.ejmech.2007.03.010 | HSC-2 | 1 |
| 17499885 | 10.1016/j.ejmech.2007.03.010 | HSC-4 | 1 |
| 17499885 | 10.1016/j.ejmech.2007.03.010 | HL-60 | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | P388 | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | L1210 | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | Unchecked | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine