TALAROZOLE

/static/temp/default.svg

Search structure


Synonyms	R-115866 R115866 Rambazole Talarozole
Status
Molecule Category	Free-form
UNII	XKD9N5CJ6W

Structure


InChI Key	SNFYYXUGUBUECJ-UHFFFAOYSA-N
Smiles	CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
InChI	InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H23N5S
Molecular Weight	377.52
AlogP	5.66
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	55.63
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	27.0

Pharmacology

Mechanism of Action	Action	Reference
Cytochrome P450 26A1 inhibitor	INHIBITOR	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 26 Cytochrome P450 family 26A Cytochrome P450 26A1	-	5.1	-	-	-
Enzyme Cytochrome P450 Cytochrome P450 family 26	-	0.46	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	0.46-5.1	-	-	-

Target Conservation


Protein: Cytochrome P450 26A1 Description: Cytochrome P450 26A1 Organism : Homo sapiens O43174 ENSG00000095596

Cross References

Resources	Reference
ChEBI	102167
ChEMBL	CHEMBL459505
DrugBank	DB13083
FDA SRS	XKD9N5CJ6W
PubChem	9799888
SureChEMBL	SCHEMBL721201

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025