Compound Detail
CHEMBL279185
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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]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL279185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORTCEQUUKXOFAE-IAUCWQFXSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
1330.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.08
Kd 2 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 9.6 | 9.6 | 0.2 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | Kd | 8.82 | 8.82 | 1.5 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | IC50 | 8.08 | 7.52 | 8.3 | 2 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 6.6 | 6.6 | 251.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.12 | 6.12 | 758.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.25 | nM | 9.6 | Displacement of fluorescent-ARC-1063 from recombinant bovine PKAc by luminescenc... | 22521647 |
| Rho-associated protein kinase 2 | Kd | = | 1.5 | nM | 8.82 | Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by... | 22521647 |
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 8.3 | nM | 8.08 | Inhibitory potency towards human cAPK C alpha in the presence of 100 uM ATP and ... | 17125267 |
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 109.0 | nM | 6.96 | Inhibitory potency towards human cAPK C alpha in the presence of 100 uM ATP and ... | 17125267 |
| Rho-associated protein kinase 2 | IC50 | = | 251.19 | nM | 6.6 | Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by... | 22521647 |
| Unchecked | IC50 | = | 758.58 | nM | 6.12 | Displacement of fluorescent-ARC-1063 from recombinant bovine PKAc by luminescenc... | 22521647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22521647 | 10.1016/j.bmcl.2012.03.101 | Unchecked | 3 |
| 17125267 | 10.1021/jm0605942 | cAMP-dependent protein kinase catalytic subunit alpha | 2 |
| 17125267 | 10.1021/jm0605942 | Unchecked | 2 |
| 22521647 | 10.1016/j.bmcl.2012.03.101 | Rho-associated protein kinase 2 | 2 |
| 17125267 | 10.1021/jm0605942 | Aurora kinase B | 1 |
| 17125267 | 10.1021/jm0605942 | Mitogen-activated protein kinase 13 | 1 |
| 17125267 | 10.1021/jm0605942 | Mitogen-activated protein kinase 1 | 1 |
| 17125267 | 10.1021/jm0605942 | Serine/threonine-protein kinase PLK1 | 1 |
| 17125267 | 10.1021/jm0605942 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 17125267 | 10.1021/jm0605942 | Tyrosine-protein kinase CSK | 1 |
| 17125267 | 10.1021/jm0605942 | Serine/threonine-protein kinase N2 | 1 |
| 17125267 | 10.1021/jm0605942 | Mitogen-activated protein kinase 11 | 1 |
| 17125267 | 10.1021/jm0605942 | RAC-beta serine/threonine-protein kinase | 1 |
| 17125267 | 10.1021/jm0605942 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 17125267 | 10.1021/jm0605942 | Serine/threonine-protein kinase Chk2 | 1 |
| 17125267 | 10.1021/jm0605942 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 17125267 | 10.1021/jm0605942 | Serine/threonine-protein kinase 3 | 1 |
| 17125267 | 10.1021/jm0605942 | Myosin light chain kinase, smooth muscle | 1 |
| 17125267 | 10.1021/jm0605942 | Glycogen synthase kinase-3 beta | 1 |
| 17125267 | 10.1021/jm0605942 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine