General Information of the Compound
Compound ID
CP0362921
Compound Name
Ly-3200882
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Synonyms
1898283-02-7
2-(4-((4-((1-cyclopropyl-3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)oxy)pyridin-2-yl)amino)pyridin-2-yl)propan-2-ol
2-{4-[(4-{[1-cyclopropyl-3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl]oxy}pyridin-2-yl)amino]pyridin-2-yl}propan-2-ol
BCP20882
CS-0023129
EX-A1680
HY-103021
LY-3200882
LY3200882
PNPFMWIDAKQFPY-UHFFFAOYSA-N
SCHEMBL17645407
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Structure
Formula
C24H29N5O3
Molecular Weight
435.528
Canonical SMILES
CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CCOCC3)C3CC3)ccn2)ccn1
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InChI
InChI=1S/C24H29N5O3/c1-24(2,30)21-13-17(5-9-25-21)27-22-14-19(6-10-26-22)32-20-15-29(18-3-4-18)28-23(20)16-7-11-31-12-8-16/h5-6,9-10,13-16,18,30H,3-4,7-8,11-12H2,1-2H3,(H,25,26,27)
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InChIKey
PNPFMWIDAKQFPY-UHFFFAOYSA-N
CAS
1898283-02-7
Physicochemical Property
logP
4.6653
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
94.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
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: 121249291
ChEMBL ID
CHEMBL4594432
DrugBank ID
DB16064
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: PT04556, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 = 82.9 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( LY3200882 )
Drug Name LY3200882
Company Eli Lilly Indianapolis, IN
Indication
Solid tumour/cancer
Phase 1
Target(s)
TGF-beta receptor type I (TGFBR1)
Inhibitor