Compound Detail
CHEMBL2021531
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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.Cl
Basic Information
| ChEMBL ID | CHEMBL2021531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXJBTOJZDRYEAA-KMODKYMMSA-N |
| Parent Compound | CHEMBL2027962 |
| Active Moiety | CHEMBL2027962 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
641.8
MW (Da)
3.59
ALogP
8
HBA
5
HBD
166.6
PSA (Ų)
0.16
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18314944 | 10.1021/jm701321p | 1A9 | 1 |
Data from ChEMBL 36 via Core Engine