ID: ALA406275
Chembl Id: CHEMBL406275
PubChem CID: 10260718
Max Phase: Preclinical
Molecular Formula: C56H90N14O13
Molecular Weight: 1167.42
Molecule Type: Protein
Associated Items:
Canonical SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O
Standard InChI: InChI=1S/C56H90N14O13/c1-10-30(7)44(68-48(76)37(57)25-33-14-18-35(72)19-15-33)53(81)67-42(27-43(58)74)51(79)66-41(24-29(5)6)52(80)69-45(31(8)11-2)54(82)70-46(32(9)71)55(83)63-38(13-12-22-62-56(60)61)49(77)65-40(23-28(3)4)50(78)64-39(47(59)75)26-34-16-20-36(73)21-17-34/h14-21,28-32,37-42,44-46,71-73H,10-13,22-27,57H2,1-9H3,(H2,58,74)(H2,59,75)(H,63,83)(H,64,78)(H,65,77)(H,66,79)(H,67,81)(H,68,76)(H,69,80)(H,70,82)(H4,60,61,62)/t30-,31-,32+,37-,38-,39-,40-,41-,42-,44-,45-,46-/m0/s1
Standard InChI Key: NJERIKSPICTITL-DCLOKTFBSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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: 1167.42 | Molecular Weight (Monoisotopic): 1166.6812 | 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. Leban JJ, Heyer D, Landavazo A, Matthews J, Aulabaugh A, Daniels AJ.. (1995) Novel modified carboxy terminal fragments of neuropeptide Y with high affinity for Y2-type receptors and potent functional antagonism at a Y1-type receptor., 38 (7): [PMID:7707318] [10.1021/jm00007a012] |
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