TRANSTORINE

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Search structure


Synonyms	Kynurenic Acid Transtorine
Status
Molecule Category	Free-form
UNII	H030S2S85J
EPA CompTox	DTXSID8075417

Structure


InChI Key	HCZHHEIFKROPDY-UHFFFAOYSA-N
Smiles	O=C(O)c1cc(=O)c2ccccc2[nH]1
InChI	InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H7NO3
Molecular Weight	189.17
AlogP	1.23
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	70.16
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	14.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transcription factor	300	-	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	86.62-107.38

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	86.62-107.38
Homo sapiens	300	-	-	-	-
Rickettsia prowazekii	-	-	-	-	7

Cross References

Resources	Reference
CAS NUMBER	492-27-3
ChEBI	18344
ChEMBL	CHEMBL299155
DrugBank	DB11937
FDA SRS	H030S2S85J
Human Metabolome Database	HMDB0000715
Guide to Pharmacology	2918
KEGG	C01717
PDB	KYA
SureChEMBL	SCHEMBL22979
ZINC	ZINC000008584773

CONTENTS

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

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Last update: Monday, 23^rd March 2026