| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 2011 | 24 | Yes |
Popular Name: (2R)-1-[(2S)-2-amino-5-isoindolin-2-yl-5-oxo-pentanoyl]pyrrolidine-2-carbonitrile (2R)-1-[(2S)-2-amino-5-isoindoli…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.42 | 5.69 | -63.39 | 3 | 6 | 1 | 92 | 327.408 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.42 | 5.35 | -20.99 | 2 | 6 | 0 | 90 | 326.4 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-2-E | Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2 | 0.51 | Binding ≤ 10μM |
| DPP8-1-E | Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1200 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 2 | 0.51 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 2 | 0.51 | Binding ≤ 10μM |
| DPP8_HUMAN | Q6V1X1 | Dipeptidyl Peptidase VIII, Human | 1200 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
