| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1208861
Max Phase: Preclinical
Molecular Formula: C18H12Cl2N2O2
Molecular Weight: 359.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cc2ccccc2cc1O
Standard InChI: InChI=1S/C18H12Cl2N2O2/c19-15-6-5-11(7-16(15)20)10-21-22-18(24)14-8-12-3-1-2-4-13(12)9-17(14)23/h1-10,23H,(H,22,24)/b21-10+
Standard InChI Key: XPNXXSSRJRBGNH-UFFVCSGVSA-N
Associated Targets(Human)
Dynamin-1 215 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: 359.21 | Molecular Weight (Monoisotopic): 358.0276 | AlogP: 4.62 | #Rotatable Bonds: 3 |
| Polar Surface Area: 61.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.80 | CX Basic pKa: 0.86 | CX LogP: 5.51 | CX LogD: 5.36 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.53 | Np Likeness Score: -1.37 |
References
| 1. Lee S, Jung KY, Park J, Cho JH, Kim YC, Chang S.. (2010) Synthesis of potent chemical inhibitors of dynamin GTPase., 20 (16): [PMID:20621477] [10.1016/j.bmcl.2010.06.092] |
Source
Source(1):