U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H34ClN7OS
Molecular Weight 540.123
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-6870810

SMILES

CN1CCN(CCCNC(=O)C[C@@H]2N=C(C3=C(SC(C)=C3C)N4C(C)=NN=C24)C5=CC=C(Cl)C=C5)CC1

InChI

InChIKey=PKQXLRYFPSZKDU-QFIPXVFZSA-N
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

HIDE SMILES / InChI

Molecular Formula C27H34ClN7OS
Molecular Weight 540.123
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:57:26 GMT 2023
Edited
by admin
on Sat Dec 16 07:57:26 GMT 2023
Record UNII
TA3QN7788D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-6870810
Common Name English
(S)-JQ35
Code English
RO6870810
Code English
6H-THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPINE-6-ACETAMIDE, 4-(4-CHLOROPHENYL)-2,3,9-TRIMETHYL-N-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)-, (6S)-
Systematic Name English
BET INHIBITOR RO6870810
Common Name English
BET INHIBITOR TEN-010
Code English
RG 6146 [WHO-DD]
Common Name English
JQ-35, (S)-
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C128462
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
FDA ORPHAN DRUG 492615
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
Code System Code Type Description
PUBCHEM
54670351
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
FDA UNII
TA3QN7788D
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
CAS
1349719-98-7
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
CHEBI
137113
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
SMS_ID
100000183334
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
DRUG BANK
DB15151
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
NCI_THESAURUS
C112500
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
EVMPD
SUB197796
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
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ACTIVE MOIETY