| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2003764
Max Phase: Preclinical
Molecular Formula: C22H19ClN2
Molecular Weight: 346.86
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(Cc2c(-c3ccc(Cl)cc3)nc3cc(C)ccn23)cc1
Standard InChI: InChI=1S/C22H19ClN2/c1-15-3-5-17(6-4-15)14-20-22(18-7-9-19(23)10-8-18)24-21-13-16(2)11-12-25(20)21/h3-13H,14H2,1-2H3
Standard InChI Key: ZVLSDDQOXHTFOK-UHFFFAOYSA-N
Associated Targets(Human)
APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (14861 Activities)
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ATXN2 Tbio Ataxin-2 (54410 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SNCA Tchem Alpha-synuclein (10960 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: 346.86 | Molecular Weight (Monoisotopic): 346.1237 | AlogP: 5.86 | #Rotatable Bonds: 3 |
| Polar Surface Area: 17.30 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 5.59 | CX LogP: 6.28 | CX LogD: 6.27 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.45 | Np Likeness Score: -1.35 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):