| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267827
Max Phase: Preclinical
Molecular Formula: C14H25N5
Molecular Weight: 263.39
Associated Items:
Representations
Canonical SMILES: c1cc2nc(c1)CNCCNCCCNCCNC2
Standard InChI: InChI=1S/C14H25N5/c1-3-13-11-17-9-7-15-5-2-6-16-8-10-18-12-14(4-1)19-13/h1,3-4,15-18H,2,5-12H2
Standard InChI Key: FAASYDUGIUEMNE-UHFFFAOYSA-N
Associated Targets(Human)
Matrix metalloproteinase-2 6627 Activities
Matrix metalloproteinase 9 6779 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: | 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: 263.39 | Molecular Weight (Monoisotopic): 263.2110 | AlogP: -0.16 | #Rotatable Bonds: 0 |
| Polar Surface Area: 61.01 | Molecular Species: BASE | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.72 | CX LogP: -0.81 | CX LogD: -4.01 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.52 | Np Likeness Score: 0.22 |
References
| 1. Sanyal S, Amin SA, Banerjee P, Gayen S, Jha T.. (2022) A review of MMP-2 structures and binding mode analysis of its inhibitors to strategize structure-based drug design., 74 [PMID:36244233] [10.1016/j.bmc.2022.117044] |
Source
Source(1):