| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3884894
Max Phase: Preclinical
Molecular Formula: C164H264N54O49
Molecular Weight: 3776.24
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O
Standard InChI: InChI=1S/C164H264N54O49/c1-21-81(11)129(167)156(262)206-101(45-49-127(235)236)138(244)190-73-125(233)217-55-31-41-113(217)154(260)215-131(89(19)221)158(264)212-107(59-79(7)8)150(256)202-99(39-29-53-178-163(172)173)144(250)204-103(43-47-115(165)223)146(252)210-109(61-91-63-180-95-35-25-23-33-93(91)95)152(258)208-105(57-77(3)4)148(254)195-84(14)134(240)192-86(16)136(242)200-97(37-27-51-176-161(168)169)142(248)194-83(13)133(239)187-68-120(228)183-65-117(225)182-66-118(226)185-70-122(230)198-111(75-219)140(246)188-69-121(229)184-67-119(227)186-71-123(231)199-112(76-220)141(247)189-72-124(232)214-130(82(12)22-2)157(263)207-102(46-50-128(237)238)139(245)191-74-126(234)218-56-32-42-114(218)155(261)216-132(90(20)222)159(265)213-108(60-80(9)10)151(257)203-100(40-30-54-179-164(174)175)145(251)205-104(44-48-116(166)224)147(253)211-110(62-92-64-181-96-36-26-24-34-94(92)96)153(259)209-106(58-78(5)6)149(255)196-85(15)135(241)193-87(17)137(243)201-98(38-28-52-177-162(170)171)143(249)197-88(18)160(266)267/h23-26,33-36,63-64,77-90,97-114,129-132,180-181,219-222H,21-22,27-32,37-62,65-76,167H2,1-20H3,(H2,165,223)(H2,166,224)(H,182,225)(H,183,228)(H,184,229)(H,185,226)(H,186,227)(H,187,239)(H,188,246)(H,189,247)(H,190,244)(H,191,245)(H,192,240)(H,193,241)(H,194,248)(H,195,254)(H,196,255)(H,197,249)(H,198,230)(H,199,231)(H,200,242)(H,201,243)(H,202,256)(H,203,257)(H,204,250)(H,205,251)(H,206,262)(H,207,263)(H,208,258)(H,209,259)(H,210,252)(H,211,253)(H,212,264)(H,213,265)(H,214,232)(H,215,260)(H,216,261)(H,235,236)(H,237,238)(H,266,267)(H4,168,169,176)(H4,170,171,177)(H4,172,173,178)(H4,174,175,179)/t81-,82-,83-,84-,85-,86-,87-,88-,89+,90+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,129-,130-,131-,132-/m0/s1
Standard InChI Key: BRBQDZBHQKYNBS-WVJVNDDNSA-N
Associated Targets(Human)
Thrombopoietin receptor 559 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: 3776.24 | Molecular Weight (Monoisotopic): 3773.9826 | 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. Liu Y, Tian F, Zhi D, Wang H, Zhao C, Li H.. (2017) Novel thrombopoietin mimetic peptides bind c-Mpl receptor: Synthesis, biological evaluation and molecular modeling., 25 (3): [PMID:28038942] [10.1016/j.bmc.2016.12.022] |
Source
Source(1):