| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4648064
Max Phase: Preclinical
Molecular Formula: C93H135N23O29S
Molecular Weight: 2071.30
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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(N)=O
Standard InChI: InChI=1S/C93H135N23O29S/c1-9-47(6)76(92(144)112-60(36-50-22-14-11-15-23-50)85(137)107-62(38-67(96)118)79(131)101-44-70(99)121)115-82(134)57(31-33-146-8)104-86(138)61(37-51-43-100-54-25-17-16-24-52(51)54)106-80(132)55(26-18-19-32-94)103-84(136)59(35-49-20-12-10-13-21-49)105-83(135)58(34-45(2)3)111-93(145)77(48(7)117)116-89(141)64(40-69(98)120)108-88(140)65(41-73(126)127)110-87(139)63(39-68(97)119)113-91(143)75(46(4)5)114-90(142)66(42-74(128)129)109-81(133)56(28-30-72(124)125)102-78(130)53(95)27-29-71(122)123/h10-17,20-25,43,45-48,53,55-66,75-77,100,117H,9,18-19,26-42,44,94-95H2,1-8H3,(H2,96,118)(H2,97,119)(H2,98,120)(H2,99,121)(H,101,131)(H,102,130)(H,103,136)(H,104,138)(H,105,135)(H,106,132)(H,107,137)(H,108,140)(H,109,133)(H,110,139)(H,111,145)(H,112,144)(H,113,143)(H,114,142)(H,115,134)(H,116,141)(H,122,123)(H,124,125)(H,126,127)(H,128,129)/t47-,48+,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,75-,76-,77-/m0/s1
Standard InChI Key: AVLPOZWZDXGANY-IICZXGQCSA-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: 2071.30 | Molecular Weight (Monoisotopic): 2069.9517 | 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):