1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
AlkaPlorer ID: AK006653
Synonym: None
IUPAC Name: N-benzyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
Structure
SMILES: CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C21H25N5O2/c1-2-26-20-17(14-24-26)19(25-16-8-10-28-11-9-16)18(13-22-20)21(27)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,22,25)(H,23,27)
InChIKey: QZGJNFBMYYEFGM-UHFFFAOYSA-N
Reference
PubChem CID: 9821178
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 379.46400000000006
TPSA？: 81.07
MolLogP？: 2.972100000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PBMC | IC50 | 19.95 | nM | 10.1016/j.bmcl.2008.05.052 |
| Homo sapiens | Phosphodiesterase 4B | IC50 | 3.162 | nM | 10.1016/j.bmcl.2008.05.052 |
| Rattus norvegicus | Rattus norvegicus | F | 35.0 | % | 10.1016/j.bmcl.2008.05.052 |
| Rattus norvegicus | Rattus norvegicus | T1/2 | 1.6 | hr | 10.1016/j.bmcl.2008.05.052 |
| None | Unchecked | IC50 | 1995.26 | nM | 10.1016/j.bmcl.2008.05.052 |
| None | Unchecked | IC50 | 31622.78 | nM | 10.1016/j.bmcl.2008.05.052 |
| None | Unchecked | Selectivity ratio | 100.0 | None | 10.1016/j.bmcl.2008.05.052 |