Compound Detail
CHEMBL1780106
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COC[C@H]1C[C@@H](C(=O)NC[C@H]2CCCO2)CN(Cc2nc(-c3ccccc3)oc2C)C1
Basic Information
| ChEMBL ID | CHEMBL1780106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPCZKYSQCGYVFS-CEWLAPEOSA-N |
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
2
Publications
1
Known Names
Molecular Properties
427.6
MW (Da)
3.03
ALogP
6
HBA
1
HBD
76.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 40.3 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.4033 | hr | Homo sapiens |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21459572 | 10.1016/j.bmcl.2011.03.022 | Liver microsomes | 2 |
| 21459572 | 10.1016/j.bmcl.2011.03.022 | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B | 1 |
Data from ChEMBL 36 via Core Engine