General Information of the Compound
Compound ID
CP0571078
Compound Name
(1S,2R,3S,4R)-4-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopentane-1,2,3-triol
    Show/Hide
Structure
Formula
C11H13FN4O3
Molecular Weight
268.248
Canonical SMILES
Nc1ncc(F)c2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
    Show/Hide
InChI
InChI=1S/C11H13FN4O3/c12-4-2-14-11(13)7-8(4)16(3-15-7)5-1-6(17)10(19)9(5)18/h2-3,5-6,9-10,17-19H,1H2,(H2,13,14)/t5-,6+,9+,10-/m1/s1
    Show/Hide
InChIKey
BZIYQWYVIMTZMI-OFLNYADTSA-N
Physicochemical Property
logP
-0.8199
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
117.42
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
19

"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
CID: 45111031
SID: 92299937
ChEMBL ID
CHEMBL3290663
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: PT01324, Adenosylhomocysteinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 9.4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 24 nM