General Information of the Compound
Compound ID
CP0033516
Compound Name
3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one
    Show/Hide
Synonyms
3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one
3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-4,7-dihydropyrrolo[4,5]pyrido[1,2-d]pyrimidin-2-one
GTPL9767
HCDMJFOHIXMBOV-UHFFFAOYSA-N
INCB54828
Pemigatinib
SCHEMBL15556271
UNII-Y6BX7BL23K
Unii-Y6BX7BL23K
Y6BX7BL23K
example 126 [WO2014007951]
    Show/Hide
Structure
Formula
C24H27F2N5O4
Molecular Weight
487.507
Canonical SMILES
CCN1C(=O)N(Cc2cnc3[nH]c(CN4CCOCC4)cc3c12)c1c(F)c(OC)cc(OC)c1F
    Show/Hide
InChI
InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)
    Show/Hide
InChIKey
HCDMJFOHIXMBOV-UHFFFAOYSA-N
CAS
1513857-77-6
Physicochemical Property
logP
3.657
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
83.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
35

"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: 86705695
ChEMBL ID
CHEMBL4297522
DrugBank ID
DB15102
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: PT01115, Fibroblast growth factor receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 0.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.5 nM
2 IC50 < 0.5 nM
3 IC50 <= 1 nM
4 IC50 = 3.37 nM
Protein ID: PT01411, Fibroblast growth factor receptor 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1.7 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.97 nM
2 IC50 = 1 nM
3 IC50 <= 1 nM
4 IC50 = 1.2 nM
5 IC50 = 6.87 nM
6 IC50 = 201 nM
7 IC50 = 776.3 nM
Clinical Information about the Compound
Drug 1 ( Pemigatinib )
Drug Name Pemigatinib
Company Incyte Wilmington, DE
Indication
Cholangiocarcinoma
Approved
Bladder cancer
Phase 2
Myeloproliferative syndrome
Phase 2
Target(s)
Fibroblast growth factor receptor 3 (FGFR3)
 Target Info 
Inhibitor
Fibroblast growth factor receptor 1 (FGFR1)
 Target Info 
Inhibitor
Fibroblast growth factor receptor 2 (FGFR2)
 Target Info 
Inhibitor