| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3086529
Max Phase: Preclinical
Molecular Formula: C19H21N5O4
Molecular Weight: 383.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)/N=N/c1ccc(C(N)=O)cc1
Standard InChI: InChI=1S/C19H21N5O4/c1-12(25)21-17(11-13-3-9-16(26)10-4-13)19(28)24(2)23-22-15-7-5-14(6-8-15)18(20)27/h3-10,17,26H,11H2,1-2H3,(H2,20,27)(H,21,25)/b23-22+/t17-/m0/s1
Standard InChI Key: CYKLCFNVPAIYGX-AWZKZOKMSA-N
Associated Targets(Human)
Plasma 7708 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: 383.41 | Molecular Weight (Monoisotopic): 383.1594 | AlogP: 1.70 | #Rotatable Bonds: 7 |
| Polar Surface Area: 137.45 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.50 | CX Basic pKa: | CX LogP: 1.80 | CX LogD: 1.80 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.49 | Np Likeness Score: -0.50 |
References
| 1. Monteiro AS, Almeida J, Cabral G, Severino P, Videira PA, Sousa A, Nunes R, Pereira JD, Francisco AP, Perry MJ, Mendes E, Mendes E.. (2013) Synthesis and evaluation of N-acylamino acids derivatives of triazenes. Activation by tyrosinase in human melanoma cell lines., 70 [PMID:24125877] [10.1016/j.ejmech.2013.09.040] |
Source
Source(1):