| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683740
Max Phase: Preclinical
Molecular Formula: C27H35N5O5
Molecular Weight: 509.61
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: CCOC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cccnc21
Standard InChI: InChI=1S/C27H35N5O5/c1-3-37-27(36)20(12-17-8-5-4-6-9-17)29-26(35)22-14-18-13-21(18)32(22)23(34)15-31-25-19(10-7-11-28-25)24(30-31)16(2)33/h7,10-11,17-18,20-22H,3-6,8-9,12-15H2,1-2H3,(H,29,35)/t18-,20+,21-,22+/m1/s1
Standard InChI Key: UTRFPTKWFWFPOH-ZDFPQIBNSA-N
Associated Targets(Human)
Complement factor D 1353 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Protein | 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: 509.61 | Molecular Weight (Monoisotopic): 509.2638 | AlogP: 2.64 | #Rotatable Bonds: 9 |
| Polar Surface Area: 123.49 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.00 | CX Basic pKa: | CX LogP: 1.77 | CX LogD: 1.77 |
| Aromatic Rings: 2 | Heavy Atoms: 37 | QED Weighted: 0.41 | Np Likeness Score: -0.58 |
References
| 1. (2015) Complement pathway modulators and uses thereof, |
Source
Source(1):