Compound Detail
CHEMBL60370
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O=C1N(Cc2cccnc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(-c2cc[nH]n2)c1
Basic Information
| ChEMBL ID | CHEMBL60370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWVDAODXAGANDN-WZJLIZBTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
573.7
MW (Da)
4.85
ALogP
5
HBA
3
HBD
105.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 9.77 | 9.77 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 0.17 | nM | 9.77 | Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent p... | 9622543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9622543 | 10.1021/jm9704199 | MT2 | 2 |
| 9622543 | 10.1021/jm9704199 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine