TAS0612

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Search structure


Synonyms	Tas0612
Status
Molecule Category	Free-form

Structure


InChI Key	UVKWCPOZHXNKAZ-UHFFFAOYSA-N
Smiles	CC(C)(C)NCCNc1ccc(C2=NN=C(C(F)(F)F)C2)nc1C1CCN(c2ncnc3c2C(C)(C)C(=O)N3)CC1
InChI	InChI=1S/C28H36F3N9O/c1-26(2,3)35-11-10-32-18-7-6-17(19-14-20(39-38-19)28(29,30)31)36-22(18)16-8-12-40(13-9-16)24-21-23(33-15-34-24)37-25(41)27(21,4)5/h6-7,15-16,32,35H,8-14H2,1-5H3,(H,33,34,37,41)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C28H36F3N9O
Molecular Weight	571.65
AlogP	4.4
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	119.79
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	41.0

Pharmacology

Mechanism of Action	Action	Reference
Ribosomal protein S6 kinase (P70S6K) inhibitor	INHIBITOR	PubMed

Target Conservation


Protein: Serine/threonine-protein kinase AKT Description: RAC-alpha serine/threonine-protein kinase Organism : Homo sapiens P31749 ENSG00000142208











Protein: Serine/threonine-protein kinase AKT Description: RAC-beta serine/threonine-protein kinase Organism : Homo sapiens P31751 ENSG00000105221











Protein: Serine/threonine-protein kinase AKT Description: RAC-gamma serine/threonine-protein kinase Organism : Homo sapiens Q9Y243 ENSG00000117020

Cross References

Resources	Reference
ChEMBL	CHEMBL4650277

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