Compound Detail
CHEMBL1509648
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Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)/C=C/c3ccc(C)o3)c2)o1
Basic Information
| ChEMBL ID | CHEMBL1509648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOKVZBUGMQEHAA-HZOWPXDZSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
4.70
ALogP
6
HBA
2
HBD
127.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.67
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.67 | 5.67 | 2122.6 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.32 | 4.895 | 4840.0 | 2 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.23 | 5.23 | 5891.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.14 | 5.14 | 7180.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.97 | 4.97 | 10643.0 | 1 |
| NS3 CHEMBL1293269 | IC50 | 4.38 | 4.38 | 41317.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine