Compound Detail
CHEMBL419335
PANCRATISTATIN Enter ChEMBL ID:
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O=C1N[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]2c2cc3c(c(O)c21)OCO3
Basic Information
| ChEMBL ID | CHEMBL419335 |
| Name | PANCRATISTATIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VREZDOWOLGNDPW-ALTGWBOUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
-2.23
ALogP
8
HBA
6
HBD
148.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 71.0 | nM | 7.15 | Cytotoxicity against human MCF7 cells | 22921081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1336040 | 10.1021/np50089a003 | Japanese encephalitis virus | 15 |
| 1336040 | 10.1021/np50089a003 | Mus musculus | 13 |
| 26819664 | 10.1021/acsmedchemlett.5b00318 | Human alphaherpesvirus 1 | 5 |
| 6549467 | 10.1021/np50036a020 | P388 | 4 |
| 1336040 | 10.1021/np50089a003 | ADMET | 4 |
| 3572427 | 10.1021/np50048a005 | P388 | 3 |
| 3572427 | 10.1021/np50048a005 | M5076 | 2 |
| 17346078 | 10.1021/np068046e | MCF7 | 1 |
| 15043403 | 10.1021/np030299+ | KM-20L2 | 1 |
| 15043403 | 10.1021/np030299+ | DU-145 | 1 |
| 17346078 | 10.1021/np068046e | DU-145 | 1 |
| 17346078 | 10.1021/np068046e | KM-20L2 | 1 |
| 17346078 | 10.1021/np068046e | NCI-H460 | 1 |
| 17346078 | 10.1021/np068046e | SF-268 | 1 |
| 16183280 | 10.1016/j.bmcl.2005.08.024 | Jurkat | 1 |
| 16183280 | 10.1016/j.bmcl.2005.08.024 | MCF7 | 1 |
| 15125958 | 10.1016/j.bmcl.2004.03.032 | KM-20L2 | 1 |
| 15125958 | 10.1016/j.bmcl.2004.03.032 | NCI-H460 | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| 15125958 | 10.1016/j.bmcl.2004.03.032 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine