| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3884613
Max Phase: Preclinical
Molecular Formula: C147H238N46O40
Molecular Weight: 3289.80
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)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/C147H238N46O40/c1-21-73(11)113(150)139(228)180-93(45-49-111(202)203)122(211)166-66-109(200)192-55-31-41-104(192)137(226)190-115(81(19)195)141(230)186-99(59-71(7)8)133(222)176-91(39-29-53-161-146(155)156)127(216)178-95(43-47-106(148)197)129(218)184-101(61-83-63-163-87-35-25-23-33-85(83)87)135(224)182-97(57-69(3)4)131(220)171-75(13)117(206)168-77(15)119(208)174-89(37-27-51-159-144(151)152)125(214)170-79(17)121(210)188-103(68-194)124(213)165-65-108(199)189-114(74(12)22-2)140(229)181-94(46-50-112(204)205)123(212)167-67-110(201)193-56-32-42-105(193)138(227)191-116(82(20)196)142(231)187-100(60-72(9)10)134(223)177-92(40-30-54-162-147(157)158)128(217)179-96(44-48-107(149)198)130(219)185-102(62-84-64-164-88-36-26-24-34-86(84)88)136(225)183-98(58-70(5)6)132(221)172-76(14)118(207)169-78(16)120(209)175-90(38-28-52-160-145(153)154)126(215)173-80(18)143(232)233/h23-26,33-36,63-64,69-82,89-105,113-116,163-164,194-196H,21-22,27-32,37-62,65-68,150H2,1-20H3,(H2,148,197)(H2,149,198)(H,165,213)(H,166,211)(H,167,212)(H,168,206)(H,169,207)(H,170,214)(H,171,220)(H,172,221)(H,173,215)(H,174,208)(H,175,209)(H,176,222)(H,177,223)(H,178,216)(H,179,217)(H,180,228)(H,181,229)(H,182,224)(H,183,225)(H,184,218)(H,185,219)(H,186,230)(H,187,231)(H,188,210)(H,189,199)(H,190,226)(H,191,227)(H,202,203)(H,204,205)(H,232,233)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)(H4,157,158,162)/t73-,74-,75-,76-,77-,78-,79-,80-,81+,82+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-,114-,115-,116-/m0/s1
Standard InChI Key: DAEUNZGXEDGCFS-QANOOLNJSA-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: 3289.80 | Molecular Weight (Monoisotopic): 3287.8003 | 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):