General Information of the Compound
Compound ID
CP0025391
Compound Name
4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide
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Synonyms
4-(4-(3-(Pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)-N-(tetrahydropyran-4-yl)benzamide
4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide
4-[4-[3-(Pyridin-2-yl)-1H-pyrazol-4-yl]pyridin-2-yl]-N-(tetrahydropyran-4-yl)benzamide
452342-67-5
AOB2606
CHEMBL202887
CTK8C0589
DTXSID70196444
EX-A122
GW 788388
GW-788388
GW788388
N-(oxan-4-yl)-4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridin-2-yl}benzamide
N14114957J
SCHEMBL17926774
SCHEMBL373524
UNII-N14114957J
cc-69
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Structure
Formula
C25H23N5O2
Molecular Weight
425.492
Canonical SMILES
O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
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InChI
InChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31)
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InChIKey
SAGZIBJAQGBRQA-UHFFFAOYSA-N
Physicochemical Property
logP
4.1095
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
92.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 10202642
SID: 15200776
ChEMBL ID
CHEMBL202887
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: PT01130, Activin receptor type-1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 446 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18 nM
Clinical Information about the Compound
Drug 1 ( GW-788388 )
Drug Name GW-788388
Indication
Solid tumour/cancer
Investigative
Target(s)
LCK tyrosine protein kinase (LCK)
Inhibitor
Stress-activated protein kinase 2a (p38 alpha)
Inhibitor
TGF-beta receptor type I (TGFBR1)
Inhibitor