Compound Detail
CHEMBL4763675
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CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O
Basic Information
| ChEMBL ID | CHEMBL4763675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POTTVLREWUNNRO-UGZRAAABSA-N |
13
Targets
16
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
3.99
ALogP
7
HBA
2
HBD
86.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 16 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 9.7 | 8.925 | 0.2 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.22 | 7.995 | 6.0 | 2 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 7.7 | 7.105 | 20.0 | 2 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| BXPC-3 CHEMBL614530 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| ASPC1 CHEMBL612588 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| RKO CHEMBL614879 | IC50 | 5.83 | 5.83 | 1470.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 5.82 | 5.82 | 1520.0 | 1 |
| PC-9 CHEMBL614102 | IC50 | 5.73 | 5.73 | 1880.0 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 5.7 | 5.7 | 2010.0 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 5.69 | 5.69 | 2030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine