TXA127

Search structure
Synonyms:
Status: Phase 2
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: IJ3FUK8MOF

Structure
InChI Key PVHLMTREZMEJCG-GDTLVBQBSA-N
Smile CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C41H62N12O11
Molecular Weight 899.02
AlogP -1.83
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 13.0
Number of Rotational Bond 25.0
Polar Surface Area 377.24
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 64.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Proto-oncogene Mas agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Respiratory Insufficiency 2 D012131 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Hypertension 1 D006973 ClinicalTrials
Peripheral Arterial Disease 0 D058729 ClinicalTrials
Obesity 0 D009765 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 55438
ChEMBL CHEMBL3545347
DrugBank DB11720
FDA SRS IJ3FUK8MOF
Guide to Pharmacology 5578
SureChEMBL SCHEMBL15926158
ZINC ZINC000096077632
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