Compound Detail
CHEMBL214154
MAYTANSINOL Enter ChEMBL ID:
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COc1cc2cc(c1Cl)N(C)C(=O)CC(O)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)/C=C/C=C(\C)C2
Basic Information
| ChEMBL ID | CHEMBL214154 |
| Name | MAYTANSINOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWPXBEHQFHACTK-KZVYIGENSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
565.1
MW (Da)
3.12
ALogP
8
HBA
3
HBD
130.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-BR-3 CHEMBL613834 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-BR-3 | IC50 | = | 1.2 | nM | 8.92 | Cytotoxicity against human SK-Br-3 cell line by clonogenic plating efficiency as... | 16821799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 563462 | 10.1021/jm00199a006 | Mus musculus | 16 |
| 563462 | 10.1021/jm00199a006 | P388 | 8 |
| 16821799 | 10.1021/jm060319f | SK-BR-3 | 1 |
| 16821799 | 10.1021/jm060319f | KB | 1 |
| 563462 | 10.1021/jm00199a006 | Tubulin | 1 |
| 563462 | 10.1021/jm00199a006 | KB | 1 |
| 563462 | 10.1021/jm00199a006 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine