Compound Detail
CHEMBL20465
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CN(C)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCCOc3ccc4ccc(=O)oc4c3)cn2C)cn1C
Basic Information
| ChEMBL ID | CHEMBL20465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKYWMIIYXFKNGZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
576.6
MW (Da)
3.20
ALogP
9
HBA
3
HBD
139.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Panel leukemia (Carcinoma cell lines) CHEMBL614083 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Panel leukemia (Carcinoma cell lines) | IC50 | = | 75000.0 | nM | 4.12 | In vitro photocytotoxicity is evaluated against human chronic myeloid leukemia c... | 8164263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164263 | 10.1021/jm00034a019 | Nucleic Acid | 4 |
| 8164263 | 10.1021/jm00034a019 | ADMET | 2 |
| 8164263 | 10.1021/jm00034a019 | Panel leukemia (Carcinoma cell lines) | 2 |
Data from ChEMBL 36 via Core Engine