Compound Detail
CHEMBL4802235
TH-4000E Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL4802235 |
| Name | TH-4000E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBACGOWRJDBXSG-ONEGZZNKSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
5
Known Names
Molecular Properties
461.8
MW (Da)
4.24
ALogP
6
HBA
2
HBD
83.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Achiral |
Activity Summary
IC50 4 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.14 | 7.85 | 7.3 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7.3 | nM | 8.14 | Antiproliferative activity against mouse Ba/F3 EGFR-D770-N771ins_SVD cells incub... | 37669428 |
| Unchecked | IC50 | = | 7.6 | nM | 8.12 | Antiproliferative activity against mouse Ba/F3 EGFR-V769_D770insASV cells incuba... | 37669428 |
| Unchecked | IC50 | = | 9.9 | nM | 8.0 | Antiproliferative activity against mouse Ba/F3 EGFR-H773-V774ins_NPH cells incub... | 37669428 |
| Unchecked | IC50 | = | 72.0 | nM | 7.14 | Antiproliferative activity against human CUTO14 cells harboring EGFR V769_D770in... | 37669428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37669428 | 10.1021/acs.jmedchem.3c00875 | Unchecked | 5 |
Data from ChEMBL 36 via Core Engine