| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
IDIAFSSLALADISR
ID: ALA1084192
Max Phase: Preclinical
Molecular Formula: C71H118N18O23
Molecular Weight: 1591.83
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)[C@@H](C)CC
Standard InChI: InChI=1S/C71H118N18O23/c1-14-35(8)53(72)67(108)84-47(29-52(95)96)63(104)88-54(36(9)15-2)68(109)78-40(13)58(99)81-45(27-41-21-18-17-19-22-41)61(102)85-49(31-91)66(107)86-48(30-90)65(106)83-44(26-34(6)7)60(101)77-38(11)56(97)80-43(25-33(4)5)59(100)76-39(12)57(98)82-46(28-51(93)94)62(103)89-55(37(10)16-3)69(110)87-50(32-92)64(105)79-42(70(111)112)23-20-24-75-71(73)74/h17-19,21-22,33-40,42-50,53-55,90-92H,14-16,20,23-32,72H2,1-13H3,(H,76,100)(H,77,101)(H,78,109)(H,79,105)(H,80,97)(H,81,99)(H,82,98)(H,83,106)(H,84,108)(H,85,102)(H,86,107)(H,87,110)(H,88,104)(H,89,103)(H,93,94)(H,95,96)(H,111,112)(H4,73,74,75)/t35-,36-,37-,38-,39-,40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,53-,54-,55-/m0/s1
Standard InChI Key: PNXJREBJOXPRIW-NVQCRABISA-N
Associated Targets(non-human)
Hemagglutinin 38 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: 1591.83 | Molecular Weight (Monoisotopic): 1590.8617 | AlogP: | #Rotatable Bonds: |
| Polar Surface Area: | Molecular Species: | HBA: | HBD: |
| #RO5 Violations: | HBA (Lipinski): | HBD (Lipinski): | #RO5 Violations (Lipinski): |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: | CX LogD: |
| Aromatic Rings: | Heavy Atoms: | QED Weighted: | Np Likeness Score: |
References
| 1. Matsubara T, Onishi A, Saito T, Shimada A, Inoue H, Taki T, Nagata K, Okahata Y, Sato T.. (2010) Sialic acid-mimic peptides as hemagglutinin inhibitors for anti-influenza therapy., 53 (11): [PMID:20476787] [10.1021/jm1002183] |
Source
Source(1):