General Information of the Compound
Compound ID
CP0471379
Compound Name
6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
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Synonyms
6'-Amino-N-[2-(morpholin-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-[2,3'-bipyridine]-6-carboxamide
6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
AU-4948
AU4948
CA-4948
CA4948
CS-0032273
GTPL10152
HY-109585
RWIMETUXCNDSLE-UHFFFAOYSA-N
SCHEMBL16896371
example 1 [WO2015104688A1]
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Structure
Formula
C21H19N7O3
Molecular Weight
417.429
Canonical SMILES
Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1cnc2nc(oc2c1)N1CCOCC1
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InChI
InChI=1S/C21H19N7O3/c22-18-5-4-13(11-23-18)15-2-1-3-16(26-15)20(29)25-14-10-17-19(24-12-14)27-21(31-17)28-6-8-30-9-7-28/h1-5,10-12H,6-9H2,(H2,22,23)(H,25,29)
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InChIKey
RWIMETUXCNDSLE-UHFFFAOYSA-N
Physicochemical Property
logP
2.3509
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
132.29
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
Complexity
31

"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: 118224238
ChEMBL ID
CHEMBL4747796
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: PT00821, Interleukin-1 receptor-associated kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CA-4948 )
Drug Name CA-4948
Company Curis Lexington, MA
Indication
Lymphoma
Phase 1
Target(s)
Renal carcinoma antigen NY-REN-64 (IRAK-4)
Inhibitor