EcoDrugPlus


Trade Names	DIACOMIT
Synonyms	BCX 2600 BCX-2600 Diacomit Stiripentol
Status
Molecule Category	Free-form
ATC	N03AX17
UNII	R02XOT8V8I
EPA CompTox	DTXSID6049068

Trade Names

DIACOMIT

Synonyms

BCX 2600

BCX-2600

Diacomit

Stiripentol

Status

Molecule Category

Free-form

ATC

N03AX17

UNII

R02XOT8V8I

EPA CompTox

DTXSID6049068


InChI Key	IBLNKMRFIPWSOY-FNORWQNLSA-N
Smiles	CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2
InChI	InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+

InChI Key

IBLNKMRFIPWSOY-FNORWQNLSA-N

Smiles

CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2

InChI

InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+

Property Name	Value
Molecular Formula	C14H18O3
Molecular Weight	234.29
AlogP	2.84
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	38.69
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H18O3

Molecular Weight

234.29

AlogP

2.84

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

38.69

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

17.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	7-7

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

7-7

Resources	Reference
ChEMBL	CHEMBL1983350
DrugBank	DB09118
FDA SRS	R02XOT8V8I
Guide to Pharmacology	5469
PubChem	5311454
SureChEMBL	SCHEMBL216436

Resources

Reference

ChEMBL

CHEMBL1983350

DrugBank

DB09118

FDA SRS

R02XOT8V8I

Guide to Pharmacology

5469

PubChem

5311454

SureChEMBL

SCHEMBL216436

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...

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

Last update: Monday, 3 November 2025

STIRIPENTOL

Structure

Physicochemical Descriptors

Pharmacology

Cross References