General Information of the Compound
| Compound ID |
CP0075172
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-fluorophenyl)-4-methoxy-3-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-(4-FLUOROPHENYL)-4-METHOXY-3-(PYRIDIN-4-YL)-1H-PYRROLO[2,3-B]PYRIDIN-6-AMINE
AKOS000280165
BDBM15457
BDBM50215267
CHEMBL115769
RWJ-68354
SCHEMBL149547
rwj68354
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15FN4O
|
||||||||||||||||||
| Molecular Weight |
334.354
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N)nc2[nH]c(c(-c3ccncc3)c12)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15FN4O/c1-25-14-10-15(21)23-19-17(14)16(11-6-8-22-9-7-11)18(24-19)12-2-4-13(20)5-3-12/h2-10H,1H3,(H3,21,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ADQZGIYHFQQPRB-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00905, Cytochrome P450 2C9
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT00986, Cytochrome P450 3A4
Clinical Information about the Compound