Compound Detail
CHEMBL316681
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O=C1N(Cc2ccc3[nH]c(O)nc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2[nH]c(O)nc2c1
Basic Information
| ChEMBL ID | CHEMBL316681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANKPUTRMKJLGNT-ZRTHHSRSSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
618.7
MW (Da)
4.23
ALogP
7
HBA
6
HBD
161.8
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00531-8 | Human immunodeficiency virus type 1 protease | 3 |
| - | 10.1016/S0960-894X(96)00531-8 | No relevant target | 1 |
| 9871528 | 10.1016/s0960-894x(98)00118-8 | Human immunodeficiency virus type 1 protease | 1 |
| 9871528 | 10.1016/s0960-894x(98)00118-8 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine