| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4456989
Max Phase: Preclinical
Molecular Formula: C94H136N20O32S3
Molecular Weight: 2154.43
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O
Standard InChI: InChI=1S/C94H136N20O32S3/c1-45(2)33-59(104-90(141)67(42-115)111-89(140)65(41-76(126)127)108-82(133)58(30-32-149-8)102-91(142)68(43-147)112-81(132)56(25-28-73(120)121)99-77(128)48(7)98-78(129)54(95)36-50-16-20-52(116)21-17-50)83(134)101-57(26-29-74(122)123)79(130)100-55(24-27-71(96)118)80(131)103-60(34-46(3)4)84(135)109-64(40-75(124)125)88(139)105-62(38-51-18-22-53(117)23-19-51)85(136)107-63(39-72(97)119)87(138)113-69(44-148)92(143)106-61(37-49-13-10-9-11-14-49)86(137)110-66(35-47(5)6)93(144)114-31-12-15-70(114)94(145)146/h9-11,13-14,16-23,45-48,54-70,115-117,147-148H,12,15,24-44,95H2,1-8H3,(H2,96,118)(H2,97,119)(H,98,129)(H,99,128)(H,100,130)(H,101,134)(H,102,142)(H,103,131)(H,104,141)(H,105,139)(H,106,143)(H,107,136)(H,108,133)(H,109,135)(H,110,137)(H,111,140)(H,112,132)(H,113,138)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,145,146)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
Standard InChI Key: UPZRVBWKBLCJQY-DMFJCABWSA-N
Associated Targets(Human)
Sclerostin 23 Activities
Associated Targets(non-human)
Sclerostin 9 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 2154.43 | Molecular Weight (Monoisotopic): 2152.8792 | 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. (2017) Inhibitory polypeptides specific to WNT inhibitors, |
Source
Source(1):