EcoDrugPlus


Synonyms	LX1032 HIPPURATE LX1606 HIPPURATE Telotristat ethyl hippurate Telotristat etiprate Xermelo
Status
Molecule Category	Salt-form
UNII	3T25U84H4U
EPA CompTox	DTXSID701027870

Synonyms

LX1032 HIPPURATE

LX1606 HIPPURATE

Telotristat ethyl hippurate

Telotristat etiprate

Xermelo

Status

Molecule Category

Salt-form

UNII

3T25U84H4U

EPA CompTox

DTXSID701027870


InChI Key	XSFPZBUIBYMVEA-CELUQASASA-N
Smiles	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

InChI Key

XSFPZBUIBYMVEA-CELUQASASA-N

Smiles

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

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

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

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

Mechanism of Action

Action

Reference

Tryptophan 5-hydroxylase inhibitor

INHIBITOR

FDA

Resources	Reference
CAS NUMBER	1137608-69-5
ChEMBL	CHEMBL3348963
FDA SRS	3T25U84H4U

Resources

Reference

CAS NUMBER

1137608-69-5

ChEMBL

CHEMBL3348963

FDA SRS

3T25U84H4U

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

TELOTRISTAT ETIPRATE

Structure

Physicochemical Descriptors

Pharmacology

Cross References