| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3184252
Max Phase: Preclinical
Molecular Formula: C27H34N4O4
Molecular Weight: 478.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNC[C@H]1Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C(=O)N([C@H](C)CO)C[C@H]1C
Standard InChI: InChI=1S/C27H34N4O4/c1-17-14-31(18(2)16-32)27(34)22-12-20(9-10-24(22)35-25(17)13-28-3)29-26(33)11-19-15-30(4)23-8-6-5-7-21(19)23/h5-10,12,15,17-18,25,28,32H,11,13-14,16H2,1-4H3,(H,29,33)/t17-,18-,25-/m1/s1
Standard InChI Key: PPWFHLCHCLIHFE-QJMRKGMQSA-N
Associated Targets(Human)
Fibroblast growth factor 22 464 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 478.59 | Molecular Weight (Monoisotopic): 478.2580 | AlogP: 2.80 | #Rotatable Bonds: 7 |
| Polar Surface Area: 95.83 | Molecular Species: BASE | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.33 | CX LogP: 2.30 | CX LogD: 0.38 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.49 | Np Likeness Score: -0.49 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):