Compound Detail
CHEMBL503321
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CCN(CC)CC.Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](C(=O)NCCCN[C@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL503321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBVOMFOOUYLAPX-QTTFECBTSA-N |
| Parent Compound | CHEMBL1187457 |
| Active Moiety | CHEMBL1187457 |
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
920.9
MW (Da)
-6.86
ALogP
23
HBA
13
HBD
428.5
PSA (Ų)
0.05
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18829307 | 10.1016/j.bmcl.2008.09.062 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine