General Information of the Compound
Compound ID
CP0069821
Compound Name
AMR-69
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Synonyms
5-Methyl-1-phenyl-1H-pyridin-2-one
5-Methyl-1-phenyl-2(1H)-pyridone
5-Methyl-1-phenyl-2-(1H)-pyridone
5-methyl-1-phenylpyridin-2(1H)-one
5-methyl-1-phenylpyridin-2-one
AMR 69
AMR-69
Deskar
Esbriet
F-647
KS-5041
P 2116
Pirespa
Pirfenidona
Pirfenidona [INN-Spanish]
Pirfenidone
Pirfenidone (Deskar)
Pirfenidone (JAN/USAN/INN)
Pirfenidone [USAN:INN]
Pirfenidonum
Pirfenidonum [INN-Latin]
S-7701
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Structure
Formula
C12H11NO
Molecular Weight
185.226
Canonical SMILES
Cc1ccc(=O)n(c1)-c1ccccc1
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InChI
InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3
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InChIKey
ISWRGOKTTBVCFA-UHFFFAOYSA-N
CAS
53179-13-8
Physicochemical Property
logP
2.14592
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
22
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 40632
SID: 12012763
ChEMBL ID
CHEMBL1256391
DrugBank ID
DB04951
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 1258.9 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Pirfenidone )
Drug Name Pirfenidone
Company InterMune
Indication
Idiopathic pulmonary fibrosis
Approved
Target(s)
Transforming growth factor beta 1 (TGFB1)
Modulator