U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21FN6O
Molecular Weight 380.4187
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SELITRECTINIB

SMILES

C[C@@H]1CCC2=C(C=C(F)C=N2)[C@H]3CCCN3C4=NC5=C(C=NN5C=C4)C(=O)N1

InChI

InChIKey=OEBIHOVSAMBXIB-SJKOYZFVSA-N
InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H21FN6O
Molecular Weight 380.4187
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:51:02 GMT 2025
Edited
by admin
on Tue Apr 01 19:51:02 GMT 2025
Record UNII
0J45910S3X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SELITRECTINIB
INN  
Official Name English
LOXO-195
Preferred Name English
12H-5,7-ETHENOPYRAZOLO(3,4-D)PYRIDO(2,3-K)PYRROLO(2,1-M)(1,3,7)TRIAZACYCLOTRIDECIN-12-ONE, 5-FLUORO-1,2,3,3A,8,9,10,11-OCTAHYDRO-10-METHYL-, (3AR,10R)-
Systematic Name English
(22R,6R)-35-FLUORO-6-METHYL-1(5,3)-PYRAZOLO(1,5-A)PYRIMIDINA-3(3,2)-PYRIDINA-2(1,2)-PYRROLIDINACYCLOOCTAPHAN-8-ONE
Common Name English
Selitrectinib [WHO-DD]
Common Name English
selitrectinib [INN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 651318
Created by admin on Tue Apr 01 19:51:02 GMT 2025 , Edited by admin on Tue Apr 01 19:51:02 GMT 2025
Code System Code Type Description
PUBCHEM
129103609
Created by admin on Tue Apr 01 19:51:02 GMT 2025 , Edited by admin on Tue Apr 01 19:51:02 GMT 2025
PRIMARY
INN
10968
Created by admin on Tue Apr 01 19:51:02 GMT 2025 , Edited by admin on Tue Apr 01 19:51:02 GMT 2025
PRIMARY
SMS_ID
300000005953
Created by admin on Tue Apr 01 19:51:02 GMT 2025 , Edited by admin on Tue Apr 01 19:51:02 GMT 2025
PRIMARY
CAS
1350884-56-8
Created by admin on Tue Apr 01 19:51:02 GMT 2025 , Edited by admin on Tue Apr 01 19:51:02 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
NCI_THESAURUS
C138160
Created by admin on Tue Apr 01 19:51:02 GMT 2025 , Edited by admin on Tue Apr 01 19:51:02 GMT 2025
PRIMARY
CAS
2097002-61-2
Created by admin on Tue Apr 01 19:51:02 GMT 2025 , Edited by admin on Tue Apr 01 19:51:02 GMT 2025
PRIMARY
DRUG BANK
DB14896
Created by admin on Tue Apr 01 19:51:02 GMT 2025 , Edited by admin on Tue Apr 01 19:51:02 GMT 2025
PRIMARY
FDA UNII
0J45910S3X
Created by admin on Tue Apr 01 19:51:02 GMT 2025 , Edited by admin on Tue Apr 01 19:51:02 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
TARGET->WEAK INHIBITOR
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY