N-(3-{[(5-Cyano-2-Phenyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl)amino]methyl}pyridin-2-Yl)-N-Methylmethanesulfonamide
AlkaPlorer ID: AK005218
Synonym: None
IUPAC Name: N-[3-[[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]pyridin-2-yl]-N-methylmethanesulfonamide
Structure
SMILES: CN(C1=C(C=CC=N1)CNC2=C3C=C(NC3=NC=C2C#N)C4=CC=CC=C4)S(=O)(=O)C
InChI: InChI=1S/C22H20N6O2S/c1-28(31(2,29)30)22-16(9-6-10-24-22)13-25-20-17(12-23)14-26-21-18(20)11-19(27-21)15-7-4-3-5-8-15/h3-11,14H,13H2,1-2H3,(H2,25,26,27)
InChIKey: IFWXGGDEGREJOB-UHFFFAOYSA-N
Reference
Phenotyping Reveals Targets of a Pseudo‐Natural‐Product Autophagy Inhibitor
PubChem CID: 71277531
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 432.5090000000001
TPSA？: 114.76999999999998
MolLogP？: 3.504480000000002
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 | Focal adhesion kinase 1 | IC50 | 195.0 | nM | 10.1021/jm3016014 |
| Homo sapiens | Focal adhesion kinase 1 | IC50 | 1100.0 | nM | 10.1021/jm3016014 |
| Homo sapiens | Focal adhesion kinase 1 | Kd | 44.0 | nM | 10.1021/jm3016014 |