Compound Detail
CHEMBL27509
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
CO[C@H]1[C@@H]2OC[C@H]1O[C@@H]1[C@H]2n2c3ccccc3c3c4c(c5c6ccccc6n1c5c32)C(=O)NC4=O
Basic Information
| ChEMBL ID | CHEMBL27509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCSXVDLLUWXSDA-SFSUPHRBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
3.65
ALogP
7
HBA
1
HBD
83.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 2900.0 | nM | 5.54 | Antiproliferative activity tested in vitro against L1210 (murine leukemia) cell ... | 11882002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11882002 | 10.1021/jm011045t | L1210 | 2 |
| 11882002 | 10.1021/jm011045t | HT-29 | 1 |
| 11882002 | 10.1021/jm011045t | A549 | 1 |
| 11882002 | 10.1021/jm011045t | K562 | 1 |
Data from ChEMBL 36 via Core Engine