Compound Detail
CHEMBL133987
TRIMELAMOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL133987 |
| Name | TRIMELAMOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHVFYGIQJNFWGQ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
5
PK Parameters
8
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
-1.97
ALogP
9
HBA
3
HBD
109.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H69 CHEMBL614805 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.03 | 4.7167 | 9400.0 | 3 |
| PC-6 CHEMBL614235 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.48 | 4.48 | 33400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.0 | hr | - |
| T1/2 | 3.333 | hr | - |
| T1/2 | 13.67 | hr | - |
| T1/2 | 4.583 | hr | - |
| T1/2 | 5.833 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H69 | IC50 | = | 8500.0 | nM | 5.07 | In vitro cytotoxicity against human small cell lung cancer H69 cell lines | 8277501 |
| NON-PROTEIN TARGET | IC50 | = | 9400.0 | nM | 5.03 | In vitro cytotoxicity against walker rat carcinoma 256 cell lines | 8277501 |
| PC-6 | IC50 | = | 12900.0 | nM | 4.89 | In vitro cytotoxicity against PC6 murine plasmacytoma cell lines | 8277501 |
| NON-PROTEIN TARGET | IC50 | = | 24300.0 | nM | 4.61 | In vitro cytotoxicity against GCT cell lines | 8277501 |
| NON-PROTEIN TARGET | IC50 | = | 30900.0 | nM | 4.51 | In vitro cytotoxicity against GCT / cisR cell lines | 8277501 |
| L1210 | IC50 | = | 33400.0 | nM | 4.48 | In vitro cytotoxicity against L1210 murine lymphocytic leukemia cell lines | 8277501 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8277501 | 10.1021/jm00078a008 | ADMET | 5 |
| 8277501 | 10.1021/jm00078a008 | NON-PROTEIN TARGET | 3 |
| 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 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine