Compound Detail
CHEMBL339315
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O=C(O)[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1Sc1ccc(-c2c[nH]nn2)cc1
Basic Information
| ChEMBL ID | CHEMBL339315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJLBNTMKOCAXSY-GKCIPKSASA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
2.85
ALogP
8
HBA
2
HBD
126.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930146 | 10.1021/jm0307638 | Interstitial collagenase | 1 |
| 12930146 | 10.1021/jm0307638 | 72 kDa type IV collagenase | 1 |
| 12930146 | 10.1021/jm0307638 | Stromelysin-1 | 1 |
| 12930146 | 10.1021/jm0307638 | Matrix metalloproteinase-9 | 1 |
| 12930146 | 10.1021/jm0307638 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine