| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1997123
Max Phase: Preclinical
Molecular Formula: C18H15BrN4OS
Molecular Weight: 415.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nc(SCc2cc(=O)n3cc(Br)ccc3n2)c(C#N)c(C)c1C
Standard InChI: InChI=1S/C18H15BrN4OS/c1-10-11(2)15(7-20)18(21-12(10)3)25-9-14-6-17(24)23-8-13(19)4-5-16(23)22-14/h4-6,8H,9H2,1-3H3
Standard InChI Key: BTDAHCYFTROTOW-UHFFFAOYSA-N
Associated Targets(non-human)
Mitochondrial import inner membrane translocase subunit TIM23 781 Activities
Mitochondrial import inner membrane translocase subunit TIM10 1435 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: 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: 415.32 | Molecular Weight (Monoisotopic): 414.0150 | AlogP: 3.94 | #Rotatable Bonds: 3 |
| Polar Surface Area: 71.05 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.48 | CX LogP: 3.62 | CX LogD: 3.62 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.61 | Np Likeness Score: -2.52 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):