Compound Detail
CHEMBL4786603
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Basic Information
| ChEMBL ID | CHEMBL4786603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKJLKQIYJZORSI-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
4.06
ALogP
7
HBA
1
HBD
93.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Daoy CHEMBL612519 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| HT-29 CHEMBL384 | IC50 | 7.75 | 7.75 | 17.7 | 1 |
| HeLa CHEMBL399 | IC50 | 7.64 | 7.64 | 22.7 | 1 |
| Jurkat CHEMBL397 | IC50 | 7.57 | 7.57 | 27.2 | 1 |
| SEM CHEMBL4296493 | IC50 | 7.53 | 7.53 | 29.7 | 1 |
| HL-60 CHEMBL383 | IC50 | 7.38 | 7.38 | 41.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Daoy | IC50 | = | 4.4 | nM | 8.36 | Antiproliferative activity against human Daoy cells assessed as inhibition of ce... | 32417696 |
| HT-29 | IC50 | = | 17.7 | nM | 7.75 | Antiproliferative activity against human HT-29 cells assessed as inhibition of c... | 32417696 |
| HeLa | IC50 | = | 22.7 | nM | 7.64 | Antiproliferative activity against human HeLa cells assessed as inhibition of ce... | 32417696 |
| Jurkat | IC50 | = | 27.2 | nM | 7.57 | Antiproliferative activity against human Jurkat cells assessed as inhibition of ... | 32417696 |
| SEM | IC50 | = | 29.7 | nM | 7.53 | Antiproliferative activity against human SEM cells assessed as inhibition of cel... | 32417696 |
| HL-60 | IC50 | = | 41.7 | nM | 7.38 | Antiproliferative activity against human HL-60 cells assessed as inhibition of c... | 32417696 |
| Unchecked | IC50 | = | 510.0 | nM | 6.29 | Inhibition of bovine brain tubulin polymerisation preincubated with compound fol... | 32417696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32417696 | 10.1016/j.ejmech.2020.112448 | Unchecked | 3 |
| 32417696 | 10.1016/j.ejmech.2020.112448 | HeLa | 1 |
| 32417696 | 10.1016/j.ejmech.2020.112448 | HT-29 | 1 |
| 32417696 | 10.1016/j.ejmech.2020.112448 | Daoy | 1 |
| 32417696 | 10.1016/j.ejmech.2020.112448 | HL-60 | 1 |
| 32417696 | 10.1016/j.ejmech.2020.112448 | SEM | 1 |
| 32417696 | 10.1016/j.ejmech.2020.112448 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine