| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NOBILAMIDE B
ID: ALA1784750
Max Phase: Preclinical
Molecular Formula: C43H61N7O10
Molecular Weight: 836.00
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Nobilamide B
Synonyms from Alternative Forms(1):
Canonical SMILES: C/C=C(\NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CC)[C@@H](C)O)C(C)C)C(=O)O
Standard InChI: InChI=1S/C43H61N7O10/c1-9-30(43(59)60)46-37(53)26(7)44-41(57)35(25(5)6)49-42(58)36(27(8)51)50-40(56)33(23-29-19-15-12-16-20-29)48-38(54)31(21-24(3)4)47-39(55)32(45-34(52)10-2)22-28-17-13-11-14-18-28/h9,11-20,24-27,31-33,35-36,51H,10,21-23H2,1-8H3,(H,44,57)(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,49,58)(H,50,56)(H,59,60)/b30-9-/t26-,27+,31+,32+,33-,35-,36+/m0/s1
Standard InChI Key: BIFGNCSVWQWVNT-PPOYIVNPSA-N
Associated Targets(Human)
Vanilloid receptor 8273 Activities
Associated Targets(non-human)
Transient receptor potential cation channel subfamily V member 1 45 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: 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: 836.00 | Molecular Weight (Monoisotopic): 835.4480 | AlogP: 1.00 | #Rotatable Bonds: 23 |
| Polar Surface Area: 261.23 | Molecular Species: ACID | HBA: 9 | HBD: 9 |
| #RO5 Violations: 2 | HBA (Lipinski): 17 | HBD (Lipinski): 9 | #RO5 Violations (Lipinski): 3 |
| CX Acidic pKa: 3.72 | CX Basic pKa: | CX LogP: 1.89 | CX LogD: -1.41 |
| Aromatic Rings: 2 | Heavy Atoms: 60 | QED Weighted: 0.07 | Np Likeness Score: -0.01 |
References
| 1. Lin Z, Reilly CA, Antemano R, Hughen RW, Marett L, Concepcion GP, Haygood MG, Olivera BM, Light A, Schmidt EW.. (2011) Nobilamides A-H, long-acting transient receptor potential vanilloid-1 (TRPV1) antagonists from mollusk-associated bacteria., 54 (11): [PMID:21524089] [10.1021/jm101621u] |
| 2. Belleza OJV, Tun JO, Concepcion GP, Villaraza AJL.. (2018) On the inhibition of capsaicin response in dorsal root ganglion neurons by nobilamide B and analogues: a structure-activity relationship study., 9 (10): [PMID:30429972] [10.1039/C8MD00304A] |
Source
Source(1):