| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3885153
Max Phase: Preclinical
Molecular Formula: C153H247N49O43
Molecular Weight: 3460.96
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)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/C153H247N49O43/c1-21-76(11)119(156)145(240)190-96(45-49-117(214)215)128(223)175-69-115(212)201-55-31-41-107(201)143(238)199-121(84(19)204)147(242)196-102(59-74(7)8)139(234)186-94(39-29-53-167-152(161)162)133(228)188-98(43-47-109(154)206)135(230)194-104(61-86-63-169-90-35-25-23-33-88(86)90)141(236)192-100(57-72(3)4)137(232)180-79(14)124(219)177-81(16)126(221)184-92(37-27-51-165-150(157)158)131(226)179-78(13)123(218)173-66-112(209)171-65-111(208)172-67-113(210)183-106(71-203)130(225)174-68-114(211)198-120(77(12)22-2)146(241)191-97(46-50-118(216)217)129(224)176-70-116(213)202-56-32-42-108(202)144(239)200-122(85(20)205)148(243)197-103(60-75(9)10)140(235)187-95(40-30-54-168-153(163)164)134(229)189-99(44-48-110(155)207)136(231)195-105(62-87-64-170-91-36-26-24-34-89(87)91)142(237)193-101(58-73(5)6)138(233)181-80(15)125(220)178-82(17)127(222)185-93(38-28-52-166-151(159)160)132(227)182-83(18)149(244)245/h23-26,33-36,63-64,72-85,92-108,119-122,169-170,203-205H,21-22,27-32,37-62,65-71,156H2,1-20H3,(H2,154,206)(H2,155,207)(H,171,209)(H,172,208)(H,173,218)(H,174,225)(H,175,223)(H,176,224)(H,177,219)(H,178,220)(H,179,226)(H,180,232)(H,181,233)(H,182,227)(H,183,210)(H,184,221)(H,185,222)(H,186,234)(H,187,235)(H,188,228)(H,189,229)(H,190,240)(H,191,241)(H,192,236)(H,193,237)(H,194,230)(H,195,231)(H,196,242)(H,197,243)(H,198,211)(H,199,238)(H,200,239)(H,214,215)(H,216,217)(H,244,245)(H4,157,158,165)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t76-,77-,78-,79-,80-,81-,82-,83-,84+,85+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-,121-,122-/m0/s1
Standard InChI Key: JMJLXFVPHXHQPW-POQMMNIGSA-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: 3460.96 | Molecular Weight (Monoisotopic): 3458.8647 | 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):