Compound Detail
CHEMBL5868162
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(F)cc2c(=O)[nH]c(C[C@@H](C)CC(=O)N3CCC(C(=O)c4cnn(C)c4)CC3)nc12
Basic Information
| ChEMBL ID | CHEMBL5868162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTIYJXKGHKLGEV-CQSZACIVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
2.79
ALogP
6
HBA
1
HBD
101.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 9.23 | 9.23 | 0.6 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 9.18 | 9.18 | 0.7 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 0.59 | nM | 9.23 | Biochemical Activity Assay: TNKS 1 and 2: The activity ELISA is performed in 384... | - |
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 0.66 | nM | 9.18 | Biochemical Activity Assay: TNKS 1 and 2: The activity ELISA is performed in 384... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 43.0 | nM | 7.37 | Biochemical Activity : PARP-1: The autoparsylation assay is performed as 384-wel... | - |
Data from ChEMBL 36 via Core Engine