Compound Detail
CHEMBL346549
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Basic Information
| ChEMBL ID | CHEMBL346549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCMOBHBLDUNBLC-QLJPJBMISA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
2.28
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.96 | 6.96 | 110.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 96.0 | hr | - |
| T1/2 | 1.6 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 110.0 | nM | 6.96 | Compound was tested in vitro for cytotoxic potency against L1210 leukemia. | - |
| L1210 | IC50 | = | 110.0 | nM | 6.96 | Cytotoxicity against mouse L1210 cells | 19639994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00093-5 | ADMET | 2 |
| - | 10.1016/0960-894X(96)00093-5 | L1210 | 1 |
| 19639994 | 10.1021/jm9006214 | L1210 | 1 |
| 19639994 | 10.1021/jm9006214 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine