| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3885359
Max Phase: Preclinical
Molecular Formula: C156H251N49O43
Molecular Weight: 3501.02
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)N1CCC[C@H]1C(=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/C156H251N49O43/c1-21-78(11)121(159)148(243)191-98(47-51-119(216)217)130(225)177-71-117(214)204-58-32-43-110(204)146(241)201-123(86(19)207)150(245)197-104(62-76(7)8)141(236)187-96(40-29-55-170-155(164)165)135(230)189-100(45-49-112(157)209)137(232)195-106(64-88-66-172-92-36-25-23-34-90(88)92)143(238)193-102(60-74(3)4)139(234)182-81(14)126(221)179-83(16)128(223)185-94(38-27-53-168-153(160)161)133(228)181-80(13)125(220)175-68-114(211)174-70-116(213)203-57-31-42-109(203)145(240)199-108(73-206)132(227)176-69-115(212)200-122(79(12)22-2)149(244)192-99(48-52-120(218)219)131(226)178-72-118(215)205-59-33-44-111(205)147(242)202-124(87(20)208)151(246)198-105(63-77(9)10)142(237)188-97(41-30-56-171-156(166)167)136(231)190-101(46-50-113(158)210)138(233)196-107(65-89-67-173-93-37-26-24-35-91(89)93)144(239)194-103(61-75(5)6)140(235)183-82(15)127(222)180-84(17)129(224)186-95(39-28-54-169-154(162)163)134(229)184-85(18)152(247)248/h23-26,34-37,66-67,74-87,94-111,121-124,172-173,206-208H,21-22,27-33,38-65,68-73,159H2,1-20H3,(H2,157,209)(H2,158,210)(H,174,211)(H,175,220)(H,176,227)(H,177,225)(H,178,226)(H,179,221)(H,180,222)(H,181,228)(H,182,234)(H,183,235)(H,184,229)(H,185,223)(H,186,224)(H,187,236)(H,188,237)(H,189,230)(H,190,231)(H,191,243)(H,192,244)(H,193,238)(H,194,239)(H,195,232)(H,196,233)(H,197,245)(H,198,246)(H,199,240)(H,200,212)(H,201,241)(H,202,242)(H,216,217)(H,218,219)(H,247,248)(H4,160,161,168)(H4,162,163,169)(H4,164,165,170)(H4,166,167,171)/t78-,79-,80-,81-,82-,83-,84-,85-,86+,87+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,121-,122-,123-,124-/m0/s1
Standard InChI Key: KVUCTMHUIQXQJH-NUDDCADSSA-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: 3501.02 | Molecular Weight (Monoisotopic): 3498.8960 | 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):