| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3640802
Max Phase: Preclinical
Molecular Formula: C15H25N3O3
Molecular Weight: 295.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H]1CC[C@H](n2cnc(CC(OCCN)C(=O)O)c2)CC1
Standard InChI: InChI=1S/C15H25N3O3/c1-11-2-4-13(5-3-11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h9-11,13-14H,2-8,16H2,1H3,(H,19,20)/t11-,13-,14?
Standard InChI Key: MYFSJRVPQSXHMT-LTXMZBCZSA-N
Associated Targets(Human)
Carboxypeptidase B2 isoform A 351 Activities
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: 295.38 | Molecular Weight (Monoisotopic): 295.1896 | AlogP: 1.61 | #Rotatable Bonds: 7 |
| Polar Surface Area: 90.37 | Molecular Species: ZWITTERION | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.53 | CX Basic pKa: 9.45 | CX LogP: -1.03 | CX LogD: -1.03 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.80 | Np Likeness Score: -0.02 |
References
| 1. (2013) Cycloalkyl-substituted imidazole derivative, |
Source
Source(1):