Compound Detail
CHEMBL135064
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL135064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWGYYCJNRONKNL-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
-1.96
ALogP
9
HBA
3
HBD
109.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H69 CHEMBL614805 | IC50 | 4.88 | 4.88 | 13100.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.85 | 4.4833 | 14100.0 | 3 |
| PC-6 CHEMBL614235 | IC50 | 4.45 | 4.45 | 35200.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.32 | 4.32 | 47800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 7.5 | hr | - |
| T1/2 | 0.6667 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H69 | IC50 | = | 13100.0 | nM | 4.88 | In vitro cytotoxicity against human small cell lung cancer H69 cell lines | 8277501 |
| NON-PROTEIN TARGET | IC50 | = | 14100.0 | nM | 4.85 | In vitro cytotoxicity against walker rat carcinoma 256 cell lines | 8277501 |
| PC-6 | IC50 | = | 35200.0 | nM | 4.45 | In vitro cytotoxicity against PC6 murine plasmacytoma cell lines | 8277501 |
| NON-PROTEIN TARGET | IC50 | = | 47300.0 | nM | 4.33 | In vitro cytotoxicity against GCT / cisR cell lines | 8277501 |
| L1210 | IC50 | = | 47800.0 | nM | 4.32 | In vitro cytotoxicity against L1210 murine lymphocytic leukemia cell lines | 8277501 |
| NON-PROTEIN TARGET | IC50 | = | 53900.0 | nM | 4.27 | In vitro cytotoxicity against GCT cell lines | 8277501 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8277501 | 10.1021/jm00078a008 | NON-PROTEIN TARGET | 3 |
| 8277501 | 10.1021/jm00078a008 | ADMET | 2 |
| 8277501 | 10.1021/jm00078a008 | PC-6 | 1 |
| 8277501 | 10.1021/jm00078a008 | NCI-H69 | 1 |
| 8277501 | 10.1021/jm00078a008 | L1210 | 1 |
| 8277501 | 10.1021/jm00078a008 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine