| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094516
Max Phase: Preclinical
Molecular Formula: C33H39N5O4
Molecular Weight: 569.71
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(N1CC[C@@](O)(Cn2cnc(-c3ccc4c(c3)COC4)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1
Standard InChI: InChI=1S/C33H39N5O4/c39-30-17-28(25-8-9-26-19-42-20-27(26)16-25)35-23-37(30)22-33(41)12-14-36(21-32(33)10-4-5-11-32)31(40)38-15-13-34-18-29(38)24-6-2-1-3-7-24/h1-3,6-9,16-17,23,29,34,41H,4-5,10-15,18-22H2/t29-,33+/m0/s1
Standard InChI Key: CAVSKCWRNHZQLQ-RYCFQHDISA-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: 569.71 | Molecular Weight (Monoisotopic): 569.3002 | AlogP: 3.70 | #Rotatable Bonds: 4 |
| 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: 1.84 | CX LogD: 1.50 |
| Aromatic Rings: 3 | Heavy Atoms: 42 | QED Weighted: 0.50 | Np Likeness Score: -0.39 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):