General Information of the Compound
Compound ID
CP0837598
Compound Name
Ala-Pro-Gly
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Structure
Formula
C10H17N3O4
Molecular Weight
243.263
Canonical SMILES
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O
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InChI
InChI=1S/C10H17N3O4/c1-6(11)10(17)13-4-2-3-7(13)9(16)12-5-8(14)15/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15)/t6-,7-/m0/s1
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InChIKey
UGTHTQWIQKEDEH-BQBZGAKWSA-N
Physicochemical Property
logP
-1.4746
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
112.73
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 11902903
SID: 56339764
ChEMBL ID
CHEMBL2074835
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: PT02659, Peptidyl-glycine alpha-amidating monooxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000506 DMS 53 Homo sapiens (Human)  1
1
Km = 5000000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Km = 4000000 nM