Amylin-(1-8)-NH2
ID: ALA2012071
Chembl Id: CHEMBL2012071
PubChem CID: 70687400
Max Phase: Preclinical
Molecular Formula: C30H53N11O11S2
Molecular Weight: 807.95
Molecule Type: Protein
Associated Items:
Names and Identifiers
Canonical SMILES: C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Standard InChI: InChI=1S/C30H53N11O11S2/c1-12(23(34)45)35-27(49)18-10-53-54-11-19(38-25(47)16(32)7-5-6-8-31)28(50)37-17(9-20(33)44)26(48)41-21(14(3)42)29(51)36-13(2)24(46)40-22(15(4)43)30(52)39-18/h12-19,21-22,42-43H,5-11,31-32H2,1-4H3,(H2,33,44)(H2,34,45)(H,35,49)(H,36,51)(H,37,50)(H,38,47)(H,39,52)(H,40,46)(H,41,48)/t12-,13-,14+,15+,16-,17-,18-,19-,21-,22-/m0/s1
Standard InChI Key: VGEBPGQEOFWULO-UIUIYHSWSA-N
Alternative Forms
Molecule Features
| 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 |
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 |
|---|
Calculated Properties
| Molecular Weight: 807.95 | Molecular Weight (Monoisotopic): 807.3367 | AlogP: -6.61 | #Rotatable Bonds: 13 |
| Polar Surface Area: 382.38 | Molecular Species: BASE | HBA: 15 | HBD: 13 |
| #RO5 Violations: 3 | HBA (Lipinski): 22 | HBD (Lipinski): 17 | #RO5 Violations (Lipinski): 3 |
| CX Acidic pKa: 11.23 | CX Basic pKa: 21.68 | CX LogP: -8.51 | CX LogD: -11.61 |
| Aromatic Rings: ┄ | Heavy Atoms: 54 | QED Weighted: 0.06 | Np Likeness Score: 0.96 |
References
| 1. Kowalczyk R, Harris PW, Brimble MA, Callon KE, Watson M, Cornish J.. (2012) Synthesis and evaluation of disulfide bond mimetics of amylin-(1-8) as agents to treat osteoporosis., 20 (8): [PMID:22398258] [10.1016/j.bmc.2012.02.030] |
Source
Source(1):