| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5081394
Max Phase: Preclinical
Molecular Formula: C32H38FN5O4
Molecular Weight: 575.69
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(F)cc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)cn1
Standard InChI: InChI=1S/C32H38FN5O4/c1-42-28-10-9-24(33)17-25(28)26-18-29(39)37(22-35-26)21-32(41)13-15-36(20-31(32)11-5-6-12-31)30(40)38-16-14-34-19-27(38)23-7-3-2-4-8-23/h2-4,7-10,17-18,22,27,34,41H,5-6,11-16,19-21H2,1H3/t27-,32+/m0/s1
Standard InChI Key: JIXRZNIMXKQRHA-QVWWMRLHSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 19 667 Activities
Molecule Features
| 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 |
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: 575.69 | Molecular Weight (Monoisotopic): 575.2908 | AlogP: 3.82 | #Rotatable Bonds: 5 |
| Polar Surface Area: 99.93 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.88 | CX Basic pKa: 7.48 | CX LogP: 2.20 | CX LogD: 1.85 |
| Aromatic Rings: 3 | Heavy Atoms: 42 | QED Weighted: 0.48 | Np Likeness Score: -0.48 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):