Compound Detail
CHEMBL1385808
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CN(C)c1ccc(O)c2c1CC1CC3[C@@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@]3(O)C(=O)C1=C2O.Cl
Basic Information
| ChEMBL ID | CHEMBL1385808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTJXVDPDEQKTCV-CGZJLBCRSA-N |
| Parent Compound | CHEMBL1619013 |
| Active Moiety | CHEMBL1619013 |
5
Targets
15
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
0.03
ALogP
9
HBA
5
HBD
164.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 5.81
EC50 5 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 7.1 | 7.1 | 79.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 7.02 | 7.02 | 95.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.76 | 6.76 | 173.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.81 | 5.3811 | 1540.0 | 9 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.03 | 5.03 | 9385.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.52 | 4.475 | 30340.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine