ID: ALA555258
PubChem CID: 45270529
Max Phase: Preclinical
Molecular Formula: C53H90N16O20
Molecular Weight: 1271.40
Molecule Type: Protein
Associated Items:
Synonyms: Gatpedlnqkls-Nh2 | GATPEDLNQKLS-NH2|CHEMBL555258
Canonical SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Standard InChI: InChI=1S/C53H90N16O20/c1-24(2)18-31(64-51(87)34(21-41(77)78)66-47(83)30(13-15-40(75)76)62-52(88)36-11-9-17-69(36)53(89)42(27(6)71)68-44(80)26(5)59-39(74)22-55)48(84)65-33(20-38(57)73)50(86)61-29(12-14-37(56)72)46(82)60-28(10-7-8-16-54)45(81)63-32(19-25(3)4)49(85)67-35(23-70)43(58)79/h24-36,42,70-71H,7-23,54-55H2,1-6H3,(H2,56,72)(H2,57,73)(H2,58,79)(H,59,74)(H,60,82)(H,61,86)(H,62,88)(H,63,81)(H,64,87)(H,65,84)(H,66,83)(H,67,85)(H,68,80)(H,75,76)(H,77,78)/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-,36-,42-/m0/s1
Standard InChI Key: GCVHAVWXWMYABL-GPLMEBMWSA-N
Molfile:
RDKit 2D
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M END| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 1271.40 | Molecular Weight (Monoisotopic): 1270.6517 | 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: ┄ |
| 1. Kindrachuk J, Paur N, Reiman C, Scruten E, Napper S.. (2007) The PhoQ-activating potential of antimicrobial peptides contributes to antimicrobial efficacy and is predictive of the induction of bacterial resistance., 51 (12): [PMID:17938183] [10.1128/aac.00854-07] |
Source(1):