General Information of the Compound
Compound ID
CP0527909
Compound Name
6-amino-N-[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl]pyridine-3-carboxamide
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Synonyms
3-pyridinecarboxamide, 6-amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-
371942-69-7
6-Amino-N-[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl]pyridine-3-carboxamide
6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide
6-Amino-N-{3-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl}pyridine-3-carboxamide
6-amino-N-[3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide
6-amino-N-[3-[4-(4-morpholinyl)-2-pyrido[2,3]furo[2,4-b]pyrimidinyl]phenyl]-3-pyridinecarboxamide
6-amino-n-(3-(4-(4-morpholinyl)pyrido(3',2'-4,5)furo(3,2-d)pyrimidin-2-yl)phenyl)-3-pyridinecarboxamide
942Y697
A19418
AB0035851
ABP000099
AK175782
AKOS027250783
AMY23718
AOB1919
AS-16693
BCP01972
BCPP000006
BRD-K48488978-001-01-2
CCG-264866
CHEBI:91382
CHEMBL2178735
CS-0592
DTXSID90433303
EX-A037
FT-0756177
HMS3229J15
HMS3295C07
HMS3654F03
HY-13228
J-518249
MFCD16038303
MLS006010997
NCGC00346683-01
NCGC00346683-09
PubChem22459
Q27163245
QCR-257
SCHEMBL258416
SMR004702795
SW218129-2
W-5608
Y0272
YM 201636
YM-201636
YM-201636,CAS:371942-69-7
YM201636
ZINC34048998
cc-386
s1219
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Structure
Formula
C25H21N7O3
Molecular Weight
467.489
Canonical SMILES
Nc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
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InChI
InChI=1S/C25H21N7O3/c26-19-7-6-16(14-28-19)24(33)29-17-4-1-3-15(13-17)22-30-20-18-5-2-8-27-25(18)35-21(20)23(31-22)32-9-11-34-12-10-32/h1-8,13-14H,9-12H2,(H2,26,28)(H,29,33)
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InChIKey
YBPIBGNBHHGLEB-UHFFFAOYSA-N
Physicochemical Property
logP
3.5041
Rotatable Bonds
4
Heavy Atom Count
35
Polar Areas
132.29
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
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).

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PubChem ID
CID: 9956222
SID: 14931865
ChEMBL ID
CHEMBL2178735
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: PT04732, 1-phosphatidylinositol 3-phosphate 5-kinase
 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 = 0.82 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 33 nM
Clinical Information about the Compound
Drug 1 ( YM-201636 )
Drug Name YM-201636
Target(s)
Phosphatidylinositol-3-phosphate 5-kinase (PIP5K3)
 Target Info 
Inhibitor