General Information of the Compound
Compound ID
CP0042616
Compound Name
3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate
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Synonyms
3'-Carbamoyl-[1,1'-biphenyl]-3-yl cyclohexylcarbamate
3'-Carbamoylbiphenyl-3-yl cyclohexylcarbamate
3'-carbamoylbiphenyl-3-yl cyclohexylcarbamate
3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate
546141-08-6
CHEMBL184238
Carbamic acid, N-cyclohexyl-, 3'-(aminocarbonyl)[1,1'-biphenyl]-3-yl ester
Cyclohexyl-carbamic acid 3'-carbamoyl-biphenyl-3-yl ester
FAAH Inhibitor II
FAAH inhibitor, Merck & Co
FAAH inhibitor, Schering-Plough/Kadmus/university of California
KDS-1243
KDS-4103
Org-231295
PX47LB88FO
UNII-PX47LB88FO
URB 597
URB-597
URB597
[3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate
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Structure
Formula
C20H22N2O3
Molecular Weight
338.407
Canonical SMILES
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
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InChI
InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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InChIKey
ROFVXGGUISEHAM-UHFFFAOYSA-N
CAS
546141-08-6
Physicochemical Property
logP
3.8736
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
81.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 1383884
SID: 14875581
ChEMBL ID
CHEMBL184238
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: PT01103, Bifunctional epoxide hydrolase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS
Protein ID: PT00961, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 0.7 nM
   TI
   LI
   LO
   TS
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 = 3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.5 nM
2 IC50 = 3 nM
3 IC50 = 7.7 nM
4 IC50 = 22 nM
5 IC50 = 48 nM
6 IC50 = 63 nM
Protein ID: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2.3 nM
   TI
   LI
   LO
   TS
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 = 3 nM
   TI
   LI
   LO
   TS
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 23 nM
   TI
   LI
   LO
   TS
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 260 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.8 nM
2 IC50 = 4 nM
3 IC50 = 4.6 nM
4 IC50 = 6.9 nM
5 IC50 = 13 nM
6 IC50 = 32 nM
7 IC50 = 58 nM
8 IC50 = 59 nM
9 IC50 = 78 nM
10 IC50 = 90 nM
11 IC50 = 109 nM
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
EC50 = 24500 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Org-231295 )
Drug Name Org-231295
Company University of California
Indication
Anxiety disorder
Investigative