General Information of the Compound
Compound ID
CP0048285
Compound Name
(+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid
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Synonyms
(+-)-6-Chloro-alpha-methylcarbazole-2-acetic acid
(+-)-isomer of carprofen
(+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid
(+/-)-6-Chloro-.alpha.-methylcarbazole-2-acetic acid
(-)-6-Chlor-alpha-methyl-2-carbazolessigsaeure
2-(6-Chloro-9H-carbazol-2-yl)-propionic acid
2-(6-Chloro-9H-carbazol-2-yl)propanoic acid
6-Chlor-alpha-methyl-carbazol-2-essigsaeure
6-Chlor-alpha-methyl-carbazol-2-essigsaeure [German]
6-Chloro-alpha-methyl-9H-carbazole-2-acetic acid
6-Chloro-alpha-methylcarbazole-2-acetic acid
9H-Carbazole-2-acetic acid, 6-chloro-.al
C 5720
C-5720
Carprofen
Carprofen (USAN/INN)
Carprofen [USAN:INN:BAN]
Carprofene
Carprofene [INN-French]
Carprofeno
Carprofeno [INN-Spanish]
Carprofeno [Spanish]
Carprofenum
Carprofenum [INN-Latin]
Imadyl
Ridamyl
Rimadyl
Rimadyl (TN)
Ro 20-5720
Ro 20-5720/000
Ro 205720
Ro-20-5720
Ro-20-5720/000
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Structure
Formula
C15H12ClNO2
Molecular Weight
273.719
Canonical SMILES
CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
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InChI
InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
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InChIKey
PUXBGTOOZJQSKH-UHFFFAOYSA-N
CAS
53716-49-7
52263-47-5
Physicochemical Property
logP
4.1626
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
53.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 2581
SID: 14824217
ChEMBL ID
CHEMBL1316
DrugBank ID
DB00821
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: PT05334, ATP-binding cassette sub-family C member 4
 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 = 3000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 1258.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Carprofen )
Drug Name Carprofen
Company Pfizer Pharmaceuticals
Indication
Pain
Approved
Target(s)
Prostaglandin G/H synthase 2 (COX-2)
 Target Info 
Inhibitor