| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5306100
Max Phase: Preclinical
Molecular Formula: C19H21N5O3
Molecular Weight: 367.41
Associated Items:
Representations
Canonical SMILES: COc1cc(C(=O)Nc2ccc(-n3ccnc3C(C)C)cc2)nc(OC)n1
Standard InChI: InChI=1S/C19H21N5O3/c1-12(2)17-20-9-10-24(17)14-7-5-13(6-8-14)21-18(25)15-11-16(26-3)23-19(22-15)27-4/h5-12H,1-4H3,(H,21,25)
Standard InChI Key: GFECAAAHEZQNRN-UHFFFAOYSA-N
Associated Targets(non-human)
Aminopeptidase 3328 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 367.41 | Molecular Weight (Monoisotopic): 367.1644 | AlogP: 3.06 | #Rotatable Bonds: 6 |
| Polar Surface Area: 91.16 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.57 | CX Basic pKa: 6.40 | CX LogP: 3.62 | CX LogD: 3.58 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.72 | Np Likeness Score: -1.69 |
References
| 1. Izquierdo, M; Lin, D; De Rycker, M. (2023) RapidFire TcLAP Compounds Screening, [10.6019/CHEMBL5305021] |
Source
Source(1):