Compound Detail
CHEMBL3359635
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Basic Information
| ChEMBL ID | CHEMBL3359635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGQCOWWMSJJMKU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
266.7
MW (Da)
3.79
ALogP
4
HBA
0
HBD
56.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 7B CHEMBL4716 | IC50 | 4.86 | 4.86 | 13900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 720.0 | nM | 6.14 | Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [... | 25264825 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human recombinant PDE4D3 assessed after 60 mins by IMAP fluorescen... | 25264825 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of human recombinant PDE4B2 assessed after 60 mins by IMAP fluorescen... | 25264825 |
| 3',5'-cyclic-AMP phosphodiesterase 7B | IC50 | = | 13900.0 | nM | 4.86 | Inhibition of human recombinant PDE7B assessed as inhibition of hydrolysis of [3... | 25264825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25264825 | 10.1021/jm501090m | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 2 |
| 25264825 | 10.1021/jm501090m | 3',5'-cyclic-AMP phosphodiesterase 7B | 2 |
| 25264825 | 10.1021/jm501090m | 3',5'-cyclic-AMP phosphodiesterase 4D | 2 |
| 25264825 | 10.1021/jm501090m | 3',5'-cyclic-AMP phosphodiesterase 4B | 2 |
| 25264825 | 10.1021/jm501090m | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 25264825 | 10.1021/jm501090m | NON-PROTEIN TARGET | 1 |
| 25264825 | 10.1021/jm501090m | Astrocyte | 1 |
| 25264825 | 10.1021/jm501090m | Unchecked | 1 |
| 25264825 | 10.1021/jm501090m | ADMET | 1 |
Data from ChEMBL 36 via Core Engine