Compound Detail
CHEMBL341709
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Basic Information
| ChEMBL ID | CHEMBL341709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHFKXMNZFGOYPD-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
5.19
ALogP
5
HBA
3
HBD
83.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| HONE1 cell line CHEMBL614830 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| TSGH CHEMBL615018 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.42 | 5.86 | 380.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 4.4 | nM | 8.36 | In vitro inhibition of human leukemic HL-60 cell growth in culture | 10579838 |
| CCRF-CEM | IC50 | = | 57.0 | nM | 7.24 | Cytotoxicity against human T-cell acute lymphocytic leukemia CCRF-CEM | 12238927 |
| HONE1 cell line | IC50 | = | 70.0 | nM | 7.16 | Cytotoxicity against human nasopharyngeal carcinoma HONE-1 | 12238927 |
| TSGH | IC50 | = | 340.0 | nM | 6.47 | In vitro cytotoxicity against human TSGH | 12238927 |
| NON-PROTEIN TARGET | IC50 | = | 380.0 | nM | 6.42 | Cytotoxicity against human nasopharyngeal carcinoma BM-1 | 12238927 |
| HepG2 | IC50 | = | 460.0 | nM | 6.34 | Cytotoxicity against human hepatoma Hepa-G2 | 12238927 |
| HT-29 | IC50 | = | 480.0 | nM | 6.32 | Cytotoxicity against human colon HT-29 cell line | 12238927 |
| NON-PROTEIN TARGET | IC50 | = | 5000.0 | nM | 5.3 | Cytotoxicity against human Glioblastoma multiformi DBTRG | 12238927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579838 | 10.1021/jm9901226 | Mus musculus | 44 |
| 12238927 | 10.1021/jm0200714 | NON-PROTEIN TARGET | 2 |
| 12238927 | 10.1021/jm0200714 | HT-29 | 1 |
| 12238927 | 10.1021/jm0200714 | HONE1 cell line | 1 |
| 12238927 | 10.1021/jm0200714 | TSGH | 1 |
| 12238927 | 10.1021/jm0200714 | HepG2 | 1 |
| 12238927 | 10.1021/jm0200714 | CCRF-CEM | 1 |
| 12238927 | 10.1021/jm0200714 | MX1 | 1 |
| 12238927 | 10.1021/jm0200714 | Nucleic Acid | 1 |
| 10579838 | 10.1021/jm9901226 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine