General Information of the Compound
Compound ID
CP0544213
Compound Name
(2R)-2-(5-fluoro-2-methoxypyridin-4-yl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
    Show/Hide
Synonyms
(2R)-2-(5-Fluoro-2-methoxypyridin-4-yl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
(2R)-2-(5-fluoro-2-methoxypyridin-4-yl)-1-[(2S)-7-methyl-6-(pyrimidin-2-yl)-3,4-dihydro-1H-spiro[1,8-naphthyridine-2,3'-pyrrolidin]-1'-yl]propan-1-one
2755890-53-8
BDBM50598696
CHEMBL5183637
CS-0619625
EX-A6871
GLXC-27032
GTPL12158
HY-148349
PF-07258669
SCHEMBL24853368
    Show/Hide
Structure
Formula
C25H27FN6O2
Molecular Weight
462.529
Canonical SMILES
COc1cc([C@@H](C)C(=O)N2CC[C@]3(C2)CCc2cc(c(C)nc2N3)-c2ncccn2)c(F)cn1
    Show/Hide
InChI
InChI=1S/C25H27FN6O2/c1-15(18-12-21(34-3)29-13-20(18)26)24(33)32-10-7-25(14-32)6-5-17-11-19(16(2)30-22(17)31-25)23-27-8-4-9-28-23/h4,8-9,11-13,15H,5-7,10,14H2,1-3H3,(H,30,31)/t15-,25+/m1/s1
    Show/Hide
InChIKey
PARGFYLSRQUWHR-BZQUYTCOSA-N
Physicochemical Property
logP
3.52262
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
93.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 164889476
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: PT00914, Melanocortin receptor 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.46 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PF-07258669 )
Drug Name PF-07258669
Company Pfzer
Indication
Malnutrition
Phase 1
Target(s)
Melanocortin receptor 4 (MC4R)
 Target Info 
Antagonist