| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5202618
Max Phase: Preclinical
Molecular Formula: C20H23N5O
Molecular Weight: 349.44
Associated Items:
Representations
Canonical SMILES: Cc1nc2c(C(=O)N3CCNCC3)cnn2c(C)c1Cc1ccccc1
Standard InChI: InChI=1S/C20H23N5O/c1-14-17(12-16-6-4-3-5-7-16)15(2)25-19(23-14)18(13-22-25)20(26)24-10-8-21-9-11-24/h3-7,13,21H,8-12H2,1-2H3
Standard InChI Key: IMYNAARJCKCZGD-UHFFFAOYSA-N
Associated Targets(Human)
RuvB-like 1 59 Activities
RuvB-like 2 47 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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 |
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Properties
| Molecular Weight: 349.44 | Molecular Weight (Monoisotopic): 349.1903 | AlogP: 1.98 | #Rotatable Bonds: 3 |
| Polar Surface Area: 62.53 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.82 | CX LogP: 1.84 | CX LogD: 1.28 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.79 | Np Likeness Score: -1.70 |
References
| 1. Zhang G, Wang F, Li S, Cheng KW, Zhu Y, Huo R, Abdukirim E, Kang G, Chou TF.. (2022) Discovery of small-molecule inhibitors of RUVBL1/2 ATPase., 62 [PMID:35364523] [10.1016/j.bmc.2022.116726] |
Source
Source(1):