Compound Detail
CHEMBL1256616
NIMUSTINE HYDROCHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1256616 |
| Name | NIMUSTINE HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPMKNHGAPDCYLP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL136737 |
| Active Moiety | CHEMBL136737 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
272.7
MW (Da)
0.80
ALogP
6
HBA
2
HBD
113.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 720.0 | nM | 6.14 | Cytotoxicity against human U87MG cells assessed as cell viability after 72 hrs b... | 23992864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 23992864 | 10.1016/j.bmcl.2013.08.006 | NON-PROTEIN TARGET | 1 |
| 23992864 | 10.1016/j.bmcl.2013.08.006 | HeLa | 1 |
| 23992864 | 10.1016/j.bmcl.2013.08.006 | A549 | 1 |
| 23992864 | 10.1016/j.bmcl.2013.08.006 | HL-60 | 1 |
| 23992864 | 10.1016/j.bmcl.2013.08.006 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine