| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3741390
Max Phase: Preclinical
Molecular Formula: C34H37N5O5
Molecular Weight: 595.70
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2NC(=O)[C@H](Cc2ccccc2)NC1=O
Standard InChI: InChI=1S/C34H37N5O5/c1-22-30(40)37-27(20-23-12-5-3-6-13-23)31(41)36-26-17-10-9-16-25(26)33(43)39-19-11-18-28(39)34(44)38(2)29(32(42)35-22)21-24-14-7-4-8-15-24/h3-10,12-17,22,27-29H,11,18-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,40)/t22-,27+,28+,29-/m1/s1
Standard InChI Key: DQANXPFOPIEFAD-KZNIJNHCSA-N
Associated Targets(non-human)
Accessory gene regulator protein A 29 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 595.70 | Molecular Weight (Monoisotopic): 595.2795 | AlogP: 2.55 | #Rotatable Bonds: 4 |
| Polar Surface Area: 127.92 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.82 | CX Basic pKa: | CX LogP: 3.40 | CX LogD: 3.40 |
| Aromatic Rings: 3 | Heavy Atoms: 44 | QED Weighted: 0.43 | Np Likeness Score: 0.71 |
References
| 1. Igarashi Y, Yamamoto K, Fukuda T, Shojima A, Nakayama J, Carro L, Trujillo ME.. (2015) Arthroamide, a Cyclic Depsipeptide with Quorum Sensing Inhibitory Activity from Arthrobacter sp., 78 (11): [PMID:26575343] [10.1021/acs.jnatprod.5b00540] |
Source
Source(1):