ID: ALA4442009
Chembl Id: CHEMBL4442009
PubChem CID: 22432221
Max Phase: Preclinical
Molecular Formula: C8H3Cl2N5
Molecular Weight: 240.05
Molecule Type: Unknown
Associated Items:
Canonical SMILES: Clc1ccc2nc(Cl)c3nnnn3c2c1
Standard InChI: InChI=1S/C8H3Cl2N5/c9-4-1-2-5-6(3-4)15-8(7(10)11-5)12-13-14-15/h1-3H
Standard InChI Key: OYQUYHKZXOMPKE-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 240.05 | Molecular Weight (Monoisotopic): 238.9766 | AlogP: 1.98 | #Rotatable Bonds: 0 |
| Polar Surface Area: 55.97 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.42 | CX LogD: 2.42 |
| Aromatic Rings: 3 | Heavy Atoms: 15 | QED Weighted: 0.60 | Np Likeness Score: -2.52 |
| 1. (2014) Inhibitors of crl4 ubiquitin ligase and uses thereof, |
Source(1):
