Compound Detail
CHEMBL89705
TALLIMUSTINE 🧪 Phase II
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🧪 Phase II
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(N(CCCl)CCCl)cc4)cn3C)cn2C)cc1C(=O)NCCC(=N)N
Basic Information
| ChEMBL ID | CHEMBL89705 |
| Name | TALLIMUSTINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ARKYUICTMUZVEW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
2
Known Names
Molecular Properties
697.6
MW (Da)
3.80
ALogP
9
HBA
6
HBD
184.3
PSA (Ų)
0.06
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.31 | 7.285 | 48.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 48.9 | nM | 7.31 | Cytotoxicity was determined after 48 hr of continuous exposure against L1210 mur... | 15115402 |
| L1210 | IC50 | = | 55.3 | nM | 7.26 | Cytotoxicity was determined after 48 hr of continuous exposure against L1210 mur... | 15115402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10121-4 | L1210 | 6 |
| - | 10.1016/S0960-894X(97)10121-4 | ADMET | 4 |
| 15115402 | 10.1021/jm031051k | Homo sapiens | 3 |
| 15115402 | 10.1021/jm031051k | L1210 | 3 |
Data from ChEMBL 36 via Core Engine