| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2324953
Max Phase: Preclinical
Molecular Formula: C84H136N28O20
Molecular Weight: 1858.19
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N(C(C)=O)C(=O)CCCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC
Standard InChI: InChI=1S/C84H136N28O20/c1-10-44(5)66(109-78(129)60(38-50-24-28-53(116)29-25-50)106-75(126)61(39-51-41-95-42-99-51)107-73(124)54(18-15-33-96-82(89)90)100-70(121)46(7)112(48(9)114)65(119)21-13-12-14-32-85)79(130)108-62(40-64(87)118)76(127)105-59(36-43(3)4)77(128)110-67(45(6)11-2)80(131)111-68(47(8)113)81(132)103-56(20-17-35-98-84(93)94)71(122)102-57(30-31-63(86)117)74(125)101-55(19-16-34-97-83(91)92)72(123)104-58(69(88)120)37-49-22-26-52(115)27-23-49/h22-29,41-47,54-62,66-68,113,115-116H,10-21,30-40,85H2,1-9H3,(H2,86,117)(H2,87,118)(H2,88,120)(H,95,99)(H,100,121)(H,101,125)(H,102,122)(H,103,132)(H,104,123)(H,105,127)(H,106,126)(H,107,124)(H,108,130)(H,109,129)(H,110,128)(H,111,131)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t44-,45-,46-,47+,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-,67-,68-/m0/s1
Standard InChI Key: IBDNBJMRLMFQQF-CBWOBJEKSA-N
Associated Targets(non-human)
Serum 604 Activities
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 |
|---|
Properties
| Molecular Weight: 1858.19 | Molecular Weight (Monoisotopic): 1857.0486 | 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: |
References
| 1. Green BR, Klein BD, Lee HK, Smith MD, Steve White H, Bulaj G.. (2013) Cyclic analogs of galanin and neuropeptide Y by hydrocarbon stapling., 21 (1): [PMID:23176753] [10.1016/j.bmc.2012.10.026] |
Source
Source(1):