| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3950448
Max Phase: Preclinical
Molecular Formula: C23H21BrFN5O4
Molecular Weight: 530.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3cccc(Br)c3F)C[C@@]3(CO)C[C@@H]23)c2ccccc12
Standard InChI: InChI=1S/C23H21BrFN5O4/c24-13-5-3-6-14(19(13)25)27-22(34)16-8-23(11-31)9-17(23)30(16)18(32)10-29-15-7-2-1-4-12(15)20(28-29)21(26)33/h1-7,16-17,31H,8-11H2,(H2,26,33)(H,27,34)/t16-,17+,23-/m0/s1
Standard InChI Key: CHZFRFNOPZUIEE-MFEFFIJZSA-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: 530.35 | Molecular Weight (Monoisotopic): 529.0761 | AlogP: 2.03 | #Rotatable Bonds: 6 |
| Polar Surface Area: 130.55 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.35 | CX Basic pKa: | CX LogP: 1.26 | CX LogD: 1.26 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.45 | Np Likeness Score: -1.10 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):