| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3642847
Max Phase: Preclinical
Molecular Formula: C17H29N3O2
Molecular Weight: 307.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CCCC(n2cnc(CC(CCCN)C(=O)O)c2)C1
Standard InChI: InChI=1S/C17H29N3O2/c1-17(2)7-3-6-15(10-17)20-11-14(19-12-20)9-13(16(21)22)5-4-8-18/h11-13,15H,3-10,18H2,1-2H3,(H,21,22)
Standard InChI Key: ILWZFIDDSWMJSL-UHFFFAOYSA-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: 307.44 | Molecular Weight (Monoisotopic): 307.2260 | AlogP: 3.01 | #Rotatable Bonds: 7 |
| Polar Surface Area: 81.14 | Molecular Species: ZWITTERION | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.91 | CX Basic pKa: 10.21 | CX LogP: 0.04 | CX LogD: 0.03 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.81 | Np Likeness Score: 0.61 |
References
| 1. (2013) Cycloalkyl-substituted imidazole derivative, |
Source
Source(1):