| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683732
Max Phase: Preclinical
Molecular Formula: C22H21BrFN5O4
Molecular Weight: 518.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CO[C@H]1[C@@H](C(=O)Nc2cccc(Br)n2)N(C(=O)Cn2nc(C(C)=O)c3ccccc32)C[C@@H]1F
Standard InChI: InChI=1S/C22H21BrFN5O4/c1-12(30)19-13-6-3-4-7-15(13)29(27-19)11-18(31)28-10-14(24)21(33-2)20(28)22(32)26-17-9-5-8-16(23)25-17/h3-9,14,20-21H,10-11H2,1-2H3,(H,25,26,32)/t14-,20-,21+/m0/s1
Standard InChI Key: AYFDOHZLMOTKKF-SZFUDVHCSA-N
Associated Targets(Human)
Complement factor D 1353 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: 518.34 | Molecular Weight (Monoisotopic): 517.0761 | AlogP: 2.60 | #Rotatable Bonds: 6 |
| Polar Surface Area: 106.42 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.74 | CX Basic pKa: | CX LogP: 2.06 | CX LogD: 2.06 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.40 | Np Likeness Score: -1.17 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):