EcoDrugPlus


Synonyms	(S)-JQ35 BET INHIBITOR TEN-010 Bet inhibitor ro6870810 Jq-35, (s)- RO6870810 Rg 6146 Ro-6870810 Ro6870810
Status
Molecule Category	Free-form
UNII	TA3QN7788D


InChI Key	PKQXLRYFPSZKDU-QFIPXVFZSA-N
Smiles	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCN1CCN(C)CC1)c1nnc(C)n1-2
InChI	InChI=1S/C27H34ClN7OS/c1-17-18(2)37-27-24(17)25(20-6-8-21(28)9-7-20)30-22(26-32-31-19(3)35(26)27)16-23(36)29-10-5-11-34-14-12-33(4)13-15-34/h6-9,22H,5,10-16H2,1-4H3,(H,29,36)/t22-/m0/s1

Property Name	Value
Molecular Formula	C27H34ClN7OS
Molecular Weight	540.14
AlogP	3.94
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	78.65
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	37.0

Mechanism of Action	Action	Reference
Bromodomain and extra-terminal motif (BET) inhibitor	INHIBITOR	DOI Other

Resources	Reference
ChEMBL	CHEMBL4297423
DrugBank	DB15151
FDA SRS	TA3QN7788D
PubChem	54670351
SureChEMBL	SCHEMBL881288

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

RO-6870810

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Pharmacology

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