General Information of the Compound
Compound ID
CP0390315
Compound Name
(R)-Modafinil
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Synonyms
(-)-(R)-modafinil
(-)-2-((R)-(Diphenylmethyl)sulfinyl)acetamide
(-)-2-[(r)-(diphenylmethyl)sulfinyl]acetamide
(R)-(-)-Modafinil
(R)-Modafinil
112111-43-0
2-[(R)-(Diphenylmethyl)sulfinyl]acetamide
ACE037
Armodafinil
Armodafinil (USAN/INN)
Armodafinil [USAN:INN]
Armodafinil, &gt
CEP 10953
CEP-10953
CHEBI:77590
CHEMBL1201192
CRL 40982
Nuvigil
Nuvigil (TN)
SCHEMBL34489
UNII-V63XWA605I
V63XWA605I
YFGHCGITMMYXAQ-LJQANCHMSA-N
ZINC6156
armodafinilo
armodafinilum
l-Modafinil
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Structure
Formula
C15H15NO2S
Molecular Weight
273.357
Canonical SMILES
NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1
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InChIKey
YFGHCGITMMYXAQ-LJQANCHMSA-N
CAS
112111-43-0
Physicochemical Property
logP
2.01
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
60.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 9690109
SID: 12014108
ChEMBL ID
CHEMBL1201192
DrugBank ID
DB06413
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: PT01005, D(2) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki > 100000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 39000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki > 100000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00884, Sodium-dependent dopamine transporter
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 6600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
Ki = 647 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Armodafinil )
Drug Name Armodafinil
Company Cephalon
Indication
Pediatric cancer
Approved
Target(s)
Adrenergic receptor alpha-1D (ADRA1D)
 Target Info 
Agonist