Compound Detail
CHEMBL1830970
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CCN(CC)CC.COc1ccc(NP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])cc1
Basic Information
| ChEMBL ID | CHEMBL1830970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXSKYPHJNSEWAG-ONAKXNSWSA-N |
| Parent Compound | CHEMBL1851739 |
| Active Moiety | CHEMBL1851739 |
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
2.05
ALogP
8
HBA
3
HBD
180.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 120.0 | hr | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21834513 | 10.1021/jm2001103 | Human immunodeficiency virus 1 | 3 |
| 21834513 | 10.1021/jm2001103 | ADMET | 2 |
| 21834513 | 10.1021/jm2001103 | No relevant target | 1 |
| 21834513 | 10.1021/jm2001103 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine