General Information of the Compound
Compound ID
CP0396669
Compound Name
(1S,2S,4S,5R,6S)-2-amino-4-(cyclohexanecarbonylamino)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Structure
Formula
C15H22N2O5
Molecular Weight
310.35
Canonical SMILES
N[C@]1(C[C@H](NC(=O)C2CCCCC2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
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InChI
InChI=1S/C15H22N2O5/c16-15(14(21)22)6-8(9-10(11(9)15)13(19)20)17-12(18)7-4-2-1-3-5-7/h7-11H,1-6,16H2,(H,17,18)(H,19,20)(H,21,22)/t8-,9-,10-,11-,15-/m0/s1
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InChIKey
URPILZHDNHGJFA-DMZJWBPISA-N
Physicochemical Property
logP
0.1841
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
129.72
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 137635882
ChEMBL ID
CHEMBL4060567
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 = 3390 nM
   TI
   LI
   LO
   TS
2
IC50 = 12000 nM
   TI
   LI
   LO
   TS
3
Ki = 1520 nM
   TI
   LI
   LO
   TS
Protein ID: PT01312, Metabotropic glutamate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 > 25000 nM
   TI
   LI
   LO
   TS
2
IC50 = 9990 nM
   TI
   LI
   LO
   TS
3
Ki = 757 nM
   TI
   LI
   LO
   TS