| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5077599
Max Phase: Preclinical
Molecular Formula: C32H37F2N5O3
Molecular Weight: 577.68
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cccc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCNC[C@H]4c4cc(F)ccc4F)CC34CCCC4)cn2)c1
Standard InChI: InChI=1S/C32H37F2N5O3/c1-22-5-4-6-23(15-22)27-17-29(40)38(21-36-27)20-32(42)11-13-37(19-31(32)9-2-3-10-31)30(41)39-14-12-35-18-28(39)25-16-24(33)7-8-26(25)34/h4-8,15-17,21,28,35,42H,2-3,9-14,18-20H2,1H3/t28-,32+/m0/s1
Standard InChI Key: UAIIRMPWNSOAID-GMCHKSTQSA-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: 577.68 | Molecular Weight (Monoisotopic): 577.2864 | AlogP: 4.26 | #Rotatable Bonds: 4 |
| Polar Surface Area: 90.70 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.88 | CX Basic pKa: 7.14 | CX LogP: 3.01 | CX LogD: 2.82 |
| Aromatic Rings: 3 | Heavy Atoms: 42 | QED Weighted: 0.48 | Np Likeness Score: -0.81 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):