EcoDrugPlus


Synonyms	Telcagepant potassium Telcagepant potassium ethanol Telcagepant potassium salt monoethanolate
Status
Molecule Category	Salt-form
UNII	L303VER2NG
Parent Compound:	TELCAGEPANT

Synonyms

Telcagepant potassium

Telcagepant potassium ethanol

Telcagepant potassium salt monoethanolate

Status

Molecule Category

Salt-form

UNII

L303VER2NG

Parent Compound:

TELCAGEPANT


InChI Key	DYXNKCSVHJFUSS-LEVQAPRMSA-M
Smiles	CCO.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c([O-])nc3ncccc32)CC1.[K+]
InChI	InChI=1S/C26H27F5N6O3.C2H6O.K/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40;1-2-3;/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40);3H,2H2,1H3;/q;;+1/p-1/t15-,19-;;/m1../s1

InChI Key

DYXNKCSVHJFUSS-LEVQAPRMSA-M

Smiles

CCO.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c([O-])nc3ncccc32)CC1.[K+]

InChI

InChI=1S/C26H27F5N6O3.C2H6O.K/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40;1-2-3;/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40);3H,2H2,1H3;/q;;+1/p-1/t15-,19-;;/m1../s1

Property Name	Value
Molecular Formula	C28H32F5KN6O4
Molecular Weight	650.69
AlogP	4.1
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	103.59
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	40.0

Property Name

Value

Molecular Formula

C28H32F5KN6O4

Molecular Weight

650.69

AlogP

4.1

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

103.59

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

40.0

Resources	Reference
ChEMBL	CHEMBL2105656
FDA SRS	L303VER2NG
PubChem	46174140

Resources

Reference

ChEMBL

CHEMBL2105656

FDA SRS

L303VER2NG

PubChem

46174140

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

TELCAGEPANT POTASSIUM

Structure

Physicochemical Descriptors

Cross References