LEQ506

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Search structure


Synonyms	LEQ-506 Leq 506 Leq506 NVP-LEQ506 Nvp-leq-506
Status
Molecule Category	Free-form
UNII	6SJX1T5HJD

Structure


InChI Key	POERAARDVFVDLO-QGZVFWFLSA-N
Smiles	Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C
InChI	InChI=1S/C25H32N6O/c1-17-16-30(11-12-31(17)23-15-26-22(14-27-23)25(4,5)32)24-19(3)18(2)21(28-29-24)13-20-9-7-6-8-10-20/h6-10,14-15,17,32H,11-13,16H2,1-5H3/t17-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H32N6O
Molecular Weight	432.57
AlogP	3.42
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	78.27
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	32.0

Pharmacology

Mechanism of Action	Action	Reference
Smoothened homolog antagonist	ANTAGONIST	PubMed

Target Conservation


Protein: Smoothened homolog Description: Smoothened homolog Organism : Homo sapiens Q99835 ENSG00000128602

Cross References

Resources	Reference
ChEMBL	CHEMBL3133037
DrugBank	DB12857
FDA SRS	6SJX1T5HJD
SureChEMBL	SCHEMBL1140459

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...

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Last update: Monday, 3 November 2025