ID: ALA279186
Chembl Id: CHEMBL279186
PubChem CID: 44412451
Max Phase: Preclinical
Molecular Formula: C54H84N6O13
Molecular Weight: 1025.29
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O
Standard InChI: InChI=1S/C54H84N6O13/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-44(64)58-47(36(4)61)53(71)59-46(35(3)7-2)51(69)60-48(37(5)62)52(70)56-41(32-38-25-22-21-23-26-38)49(67)55-42(34-45(65)66)50(68)57-43(54(72)73)33-39-28-30-40(63)31-29-39/h21-23,25-26,28-31,35-37,41-43,46-48,61-63H,6-20,24,27,32-34H2,1-5H3,(H,55,67)(H,56,70)(H,57,68)(H,58,64)(H,59,71)(H,60,69)(H,65,66)(H,72,73)/t35-,36+,37+,41-,42-,43-,46-,47-,48-/m0/s1
Standard InChI Key: WANZLOHBSCCQHB-SLAALTIPSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 1025.29 | Molecular Weight (Monoisotopic): 1024.6096 | 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. Basse N, Papapostolou D, Pagano M, Reboud-Ravaux M, Bernard E, Felten AS, Vanderesse R.. (2006) Development of lipopeptides for inhibiting 20S proteasomes., 16 (12): [PMID:16630721] [10.1016/j.bmcl.2006.03.033] |
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