| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3212389
Max Phase: Preclinical
Molecular Formula: C16H13ClN4O
Molecular Weight: 312.76
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nc2ccccn2c1C(=O)N/N=C/c1ccccc1Cl
Standard InChI: InChI=1S/C16H13ClN4O/c1-11-15(21-9-5-4-8-14(21)19-11)16(22)20-18-10-12-6-2-3-7-13(12)17/h2-10H,1H3,(H,20,22)/b18-10+
Standard InChI Key: FDCOZKYDNKVQKT-VCHYOVAHSA-N
Associated Targets(Human)
Histone acetyltransferase GCN5 14285 Activities
DNA polymerase iota 116820 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Glycoprotein hormones alpha chain 29278 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: 312.76 | Molecular Weight (Monoisotopic): 312.0778 | AlogP: 3.06 | #Rotatable Bonds: 3 |
| Polar Surface Area: 58.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.79 | CX Basic pKa: 4.32 | CX LogP: 2.40 | CX LogD: 2.40 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.60 | Np Likeness Score: -2.68 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):