Compound Detail
CHEMBL2368153
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Cc1cccc2c1OP(=O)(OC[C@H]1O[C@@H](n3cc(/C=C/Br)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@@H]1CCCN1)OC2.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL2368153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZWHDVJBACZOAV-CGOLMINUSA-N |
| Parent Compound | CHEMBL2368806 |
| Active Moiety | CHEMBL2368806 |
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
612.4
MW (Da)
2.90
ALogP
11
HBA
2
HBD
147.2
PSA (Ų)
0.35
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.32 | - | - |
| T1/2 | 0.35 | - | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12408726 | 10.1021/jm0209275 | ADMET | 2 |
| 12408726 | 10.1021/jm0209275 | No relevant target | 1 |
| 12408726 | 10.1021/jm0209275 | Nucleic Acid | 1 |
| 12408726 | 10.1021/jm0209275 | P3HR-1 | 1 |
| 12408726 | 10.1021/jm0209275 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine