TELOTRISTAT ETIPRATE

Search structure
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 3T25U84H4U

Structure
InChI Key XSFPZBUIBYMVEA-CELUQASASA-N
Smile CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1.O=C(O)CNC(=O)c1ccccc1
InChI
InChI=1S/C27H26ClF3N6O3.C9H9NO3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37;11-8(12)6-10-9(13)7-4-2-1-3-5-7/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35);1-5H,6H2,(H,10,13)(H,11,12)/t20-,24+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H35ClF3N7O6
Molecular Weight 754.17
AlogP 4.99
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 131.17
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 40.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tryptophan 5-hydroxylase inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diarrhea 4 D003967 FDA

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3348963
FDA SRS 3T25U84H4U
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