| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA600871
Max Phase: Preclinical
Molecular Formula: C79H120N32O13
Molecular Weight: 1726.04
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
Standard InChI: InChI=1S/C79H120N32O13/c1-3-41(2)63(111-70(120)57(27-29-62(82)113)103-65(115)48(80)18-10-30-94-75(84)85)74(124)107-55(25-14-34-98-79(92)93)67(117)104-54(24-13-33-97-78(90)91)68(118)108-60(37-44-40-101-51-21-9-6-17-47(44)51)73(123)110-59(36-43-39-100-50-20-8-5-16-46(43)50)72(122)106-56(26-28-61(81)112)69(119)109-58(35-42-38-99-49-19-7-4-15-45(42)49)71(121)105-53(23-12-32-96-77(88)89)66(116)102-52(64(83)114)22-11-31-95-76(86)87/h4-9,15-17,19-21,38-41,48,52-60,63,99-101H,3,10-14,18,22-37,80H2,1-2H3,(H2,81,112)(H2,82,113)(H2,83,114)(H,102,116)(H,103,115)(H,104,117)(H,105,121)(H,106,122)(H,107,124)(H,108,118)(H,109,119)(H,110,123)(H,111,120)(H4,84,85,94)(H4,86,87,95)(H4,88,89,96)(H4,90,91,97)(H4,92,93,98)/t41-,48-,52-,53-,54-,55-,56-,57-,58-,59-,60-,63-/m0/s1
Standard InChI Key: MGBLZQPJJSUMOE-HRQCMSGFSA-N
Associated Targets(non-human)
Candida albicans 78123 Activities
Cryptococcus neoformans 21258 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Poecilia reticulata 17 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 1726.04 | Molecular Weight (Monoisotopic): 1724.9713 | 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. Garibotto FM, Garro AD, Masman MF, Rodríguez AM, Luiten PG, Raimondi M, Zacchino SA, Somlai C, Penke B, Enriz RD.. (2010) New small-size peptides possessing antifungal activity., 18 (1): [PMID:19959366] [10.1016/j.bmc.2009.11.009] |
Source
Source(1):