Compound Detail
CHEMBL3655256
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CN(C)CCNC[C@H]1CC[C@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnn32)CC1
Basic Information
| ChEMBL ID | CHEMBL3655256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHZUXJZLXBCDTG-AQYVVDRMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
4.59
ALogP
8
HBA
2
HBD
93.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activated CDC42 kinase 1 CHEMBL4599 | IC50 | 6.67 | 6.67 | 216.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activated CDC42 kinase 1 | IC50 | = | 216.4 | nM | 6.67 | AlphaScreen Assay: Compounds of the invention were tested for ACK1 inhibition ac... | - |
Data from ChEMBL 36 via Core Engine