Compound Detail
CHEMBL1077375
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N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCNC(=O)c1ccc(-c2ccnc(N)n2)s1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL1077375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAAJGIGLUACQAJ-DQVPDUJDSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
1511.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.56
Kd 2 meas. best 10.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 10.25 | 10.25 | 0.1 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.56 | 8.56 | 2.8 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.78 | 6.78 | 166.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.056 | nM | 10.25 | Displacement of fluorescent-ARC-1063 from recombinant bovine PKAc by luminescenc... | 22521647 |
| Rho-associated protein kinase 2 | IC50 | = | 2.754 | nM | 8.56 | Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by... | 22521647 |
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 5.5 | nM | 8.26 | Inhibition of PKACalpha in presence of 1000 uM ATP | 19800227 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 12.0 | nM | 7.92 | Inhibition of PKBgamma in presence of 100 uM ATP | 19800227 |
| Unchecked | IC50 | = | 165.96 | nM | 6.78 | Displacement of fluorescent-ARC-1063 from recombinant bovine PKAc by luminescenc... | 22521647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19800227 | 10.1016/j.bmcl.2009.09.026 | RAC-gamma serine/threonine-protein kinase | 3 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | cAMP-dependent protein kinase catalytic subunit alpha | 3 |
| 22521647 | 10.1016/j.bmcl.2012.03.101 | Unchecked | 3 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Protein kinase C beta type | 2 |
| 22521647 | 10.1016/j.bmcl.2012.03.101 | Rho-associated protein kinase 2 | 2 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Calcium/calmodulin-dependent protein kinase type II subunit beta | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Serine/threonine-protein kinase Chk1 | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Serine/threonine-protein kinase Chk2 | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Casein kinase I isoform alpha | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Death-associated protein kinase 3 | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Glycogen synthase kinase-3 alpha | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Glycogen synthase kinase-3 beta | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Maternal embryonic leucine zipper kinase | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Calcium/calmodulin-dependent protein kinase type 1D | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Ribosomal protein S6 kinase beta-1 | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Serine/threonine-protein kinase PAK 3 | 1 |
| 19800227 | 10.1016/j.bmcl.2009.09.026 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine