| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5080750
Max Phase: Preclinical
Molecular Formula: C30H38F2N6O3
Molecular Weight: 568.67
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(N1CC[C@@](O)(Cn2cnc(N3CC4CC4C3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cc(F)ccc1F
Standard InChI: InChI=1S/C30H38F2N6O3/c31-22-3-4-24(32)23(12-22)25-14-33-8-10-38(25)28(40)35-9-7-30(41,29(17-35)5-1-2-6-29)18-37-19-34-26(13-27(37)39)36-15-20-11-21(20)16-36/h3-4,12-13,19-21,25,33,41H,1-2,5-11,14-18H2/t20?,21?,25-,30+/m0/s1
Standard InChI Key: LLMNXFHLSVZOCQ-RQRPKJDZSA-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: 568.67 | Molecular Weight (Monoisotopic): 568.2973 | AlogP: 2.74 | #Rotatable Bonds: 4 |
| Polar Surface Area: 93.94 | 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: 7.14 | CX LogP: 1.74 | CX LogD: 1.55 |
| Aromatic Rings: 2 | Heavy Atoms: 41 | QED Weighted: 0.59 | Np Likeness Score: -0.59 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):