| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4798901
Max Phase: Preclinical
Molecular Formula: C88H132N18O21S2
Molecular Weight: 1842.26
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1C(=O)N[C@@H](CCCCNS(=O)(=O)c2ccc(-c3c4ccc(=[N+](CC)CC)cc-4oc4cc(N(CC)CC)ccc34)c(S(=O)(=O)[O-])c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@@H](C)CC
Standard InChI: InChI=1S/C88H132N18O21S2/c1-15-49(9)72(101-80(113)64(92-14)43-54-29-24-23-25-30-54)83(116)98-65(47-107)81(114)96-63(39-40-70(89)109)79(112)100-74(51(11)17-3)85(118)102-73(50(10)16-2)84(117)99-66(48-108)82(115)104-76-53(13)126-87(120)75(52(12)18-4)103-78(111)62(32-28-41-93-88(90)91)95-77(110)61(97-86(76)119)31-26-27-42-94-128(121,122)57-35-38-60(69(46-57)129(123,124)125)71-58-36-33-55(105(19-5)20-6)44-67(58)127-68-45-56(34-37-59(68)71)106(21-7)22-8/h23-25,29-30,33-38,44-46,49-53,61-66,72-76,92,94,107-108H,15-22,26-28,31-32,39-43,47-48H2,1-14H3,(H16-,89,90,91,93,95,96,97,98,99,100,101,102,103,104,109,110,111,112,113,114,115,116,117,118,119,123,124,125)/t49-,50-,51-,52-,53-,61-,62-,63+,64+,65-,66-,72-,73-,74+,75-,76+/m0/s1
Standard InChI Key: CNPRFWYOMRUILG-WQUGNCMNSA-N
Associated Targets(non-human)
Bacillus subtilis 32866 Activities
Enterococcus durans 113 Activities
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Streptococcus salivarius 87 Activities
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Staphylococcus aureus 210822 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Staphylococcus epidermidis 22802 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: Unknown | 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: 1842.26 | Molecular Weight (Monoisotopic): 1840.9256 | 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. Gunjal VB,Thakare R,Chopra S,Reddy DS. (2020) Teixobactin: A Paving Stone toward a New Class of Antibiotics?, 63 (21): [PMID:32520557] [10.1021/acs.jmedchem.0c00173] |
Source
Source(1):