| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5077692
Max Phase: Preclinical
Molecular Formula: C32H37F2N5O4
Molecular Weight: 593.68
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccccc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3cc(F)ccc3F)CC23CCCC3)cn1
Standard InChI: InChI=1S/C32H37F2N5O4/c1-43-28-7-3-2-6-23(28)26-17-29(40)38(21-36-26)20-32(42)12-14-37(19-31(32)10-4-5-11-31)30(41)39-15-13-35-18-27(39)24-16-22(33)8-9-25(24)34/h2-3,6-9,16-17,21,27,35,42H,4-5,10-15,18-20H2,1H3/t27-,32+/m0/s1
Standard InChI Key: SMYUAEPKFNEFJS-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: 593.68 | Molecular Weight (Monoisotopic): 593.2814 | AlogP: 3.96 | #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: 7.14 | CX LogP: 2.34 | CX LogD: 2.15 |
| Aromatic Rings: 3 | Heavy Atoms: 43 | QED Weighted: 0.46 | Np Likeness Score: -0.58 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):