| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4645228
Max Phase: Preclinical
Molecular Formula: C78H115N19O19S
Molecular Weight: 1654.96
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(N)=O
Standard InChI: InChI=1S/C78H115N19O19S/c1-10-42(6)64(77(115)95-53(32-45-21-13-11-14-22-45)69(107)86-43(7)66(104)85-39-61(82)101)96-68(106)51(28-30-117-9)88-72(110)55(34-47-38-84-49-26-18-17-25-48(47)49)90-67(105)50(27-19-20-29-79)87-71(109)54(33-46-23-15-12-16-24-46)89-70(108)52(31-40(2)3)94-78(116)65(44(8)98)97-75(113)57(36-60(81)100)91-74(112)58(37-62(102)103)92-73(111)56(35-59(80)99)93-76(114)63(83)41(4)5/h11-18,21-26,38,40-44,50-58,63-65,84,98H,10,19-20,27-37,39,79,83H2,1-9H3,(H2,80,99)(H2,81,100)(H2,82,101)(H,85,104)(H,86,107)(H,87,109)(H,88,110)(H,89,108)(H,90,105)(H,91,112)(H,92,111)(H,93,114)(H,94,116)(H,95,115)(H,96,106)(H,97,113)(H,102,103)/t42-,43-,44+,50-,51-,52-,53-,54-,55-,56-,57-,58-,63-,64-,65-/m0/s1
Standard InChI Key: VBMBMOJAGRPKIM-ZEUROUSCSA-N
Associated Targets(Human)
Growth/differentiation factor 8 196 Activities
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: 1654.96 | Molecular Weight (Monoisotopic): 1653.8337 | 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. Saitoh M, Takayama K, Hitachi K, Taguchi A, Taniguchi A, Tsuchida K, Hayashi Y.. (2020) Discovery of a follistatin-derived myostatin inhibitory peptide., 30 (3): [PMID:31874826] [10.1016/j.bmcl.2019.126892] |
Source
Source(1):