| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3929674
Max Phase: Preclinical
Molecular Formula: C15H15N5O2
Molecular Weight: 297.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#C[C@@H]1CCCN1C(=O)CNC(=O)C1=CC=NC2=NC=CC12
Standard InChI: InChI=1S/C15H15N5O2/c16-8-10-2-1-7-20(10)13(21)9-19-15(22)12-4-6-18-14-11(12)3-5-17-14/h3-6,10-11H,1-2,7,9H2,(H,19,22)/t10-,11?/m0/s1
Standard InChI Key: NDABCLYNIIWVRI-VUWPPUDQSA-N
Associated Targets(Human)
Dipeptidyl peptidase IV 7109 Activities
Dipeptidyl peptidase IX 1624 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Dipeptidyl peptidase II 2000 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Prolyl endopeptidase 1176 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Seprase 241 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 297.32 | Molecular Weight (Monoisotopic): 297.1226 | AlogP: 0.17 | #Rotatable Bonds: 3 |
| Polar Surface Area: 97.92 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.48 | CX Basic pKa: 3.37 | CX LogP: -1.83 | CX LogD: -1.83 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.80 | Np Likeness Score: -0.18 |
References
| 1. (2016) FAP inhibitors, |
Source
Source(1):