Compound Detail
CHEMBL538971
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C=C(/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C)NCCCNCCCCNCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C
Basic Information
| ChEMBL ID | CHEMBL538971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHGOYBDPNPRQTA-IXYDBLKPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
817.2
MW (Da)
11.14
ALogP
6
HBA
4
HBD
83.7
PSA (Ų)
0.04
QED
2
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 950.0 | nM | 6.02 | Inhibition of Dictyostelium discoideum AX2 RNase P by double reciprocal plot | 19216007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19216007 | 10.1016/j.ejmech.2009.01.001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine