U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C28H37N3O2
Molecular Weight 447.6123
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MCHB-1

SMILES

CCOC1=CC=C(CC2=NC3=CC(=CC=C3N2CC4CCCCC4)C(=O)N(CC)CC)C=C1

InChI

InChIKey=WRVZBXHTUOPQJS-UHFFFAOYSA-N
InChI=1S/C28H37N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h12-17,19,22H,4-11,18,20H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C28H37N3O2
Molecular Weight 447.6123
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.52 nM [EC50]
PubMed

PubMed

TitleDatePubMed
Novel benzimidazole derivatives as selective CB2 agonists.
2008 Jul 1
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:24:35 UTC 2023
Edited
by admin
on Sat Dec 16 10:24:35 UTC 2023
Record UNII
W8QNY2T4YC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MCHB-1
Code English
1-(CYCLOHEXYLMETHYL)-2-((4-ETHOXYPHENYL)METHYL)-N,N-DIETHYL-1H-BENZIMIDAZOLE-5-CARBOXAMIDE
Systematic Name English
1H-BENZIMIDAZOLE-5-CARBOXAMIDE, 1-(CYCLOHEXYLMETHYL)-2-((4-ETHOXYPHENYL)METHYL)-N,N-DIETHYL-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
MCHB-1
Created by admin on Sat Dec 16 10:24:35 UTC 2023 , Edited by admin on Sat Dec 16 10:24:35 UTC 2023
PRIMARY
FDA UNII
W8QNY2T4YC
Created by admin on Sat Dec 16 10:24:35 UTC 2023 , Edited by admin on Sat Dec 16 10:24:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID501336524
Created by admin on Sat Dec 16 10:24:35 UTC 2023 , Edited by admin on Sat Dec 16 10:24:35 UTC 2023
PRIMARY
CAS
1046140-32-2
Created by admin on Sat Dec 16 10:24:35 UTC 2023 , Edited by admin on Sat Dec 16 10:24:35 UTC 2023
PRIMARY
PUBCHEM
44561533
Created by admin on Sat Dec 16 10:24:35 UTC 2023 , Edited by admin on Sat Dec 16 10:24:35 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
~30x selectivity over CB1
Ki
TARGET -> AGONIST
Ki
TARGET -> AGONIST
EC50
Related Record Type Details
ACTIVE MOIETY