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

Stereochemistry ABSOLUTE
Molecular Formula C20H21N7O
Molecular Weight 375.427
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELIMUSERTIB

SMILES

C[C@@H]1COCCN1C2=CC(C3=CC=NN3C)=C4C=CN=C(C5=CC=NN5)C4=N2

InChI

InChIKey=YBXRSCXGRPSTMW-CYBMUJFWSA-N
InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H21N7O
Molecular Weight 375.427
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Tue Apr 01 21:10:04 GMT 2025
Edited
by admin
on Tue Apr 01 21:10:04 GMT 2025
Record UNII
7N13IK9LNH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY-1895344
Preferred Name English
ELIMUSERTIB
INN  
Official Name English
1,7-NAPHTHYRIDINE, 2-((3R)-3-METHYL-4-MORPHOLINYL)-4-(1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-3-YL)-
Systematic Name English
elimusertib [INN]
Common Name English
Elimusertib [WHO-DD]
Common Name English
Code System Code Type Description
INN
11490
Created by admin on Tue Apr 01 21:10:04 GMT 2025 , Edited by admin on Tue Apr 01 21:10:04 GMT 2025
PRIMARY
PUBCHEM
118869362
Created by admin on Tue Apr 01 21:10:04 GMT 2025 , Edited by admin on Tue Apr 01 21:10:04 GMT 2025
PRIMARY
EVMPD
SUB194127
Created by admin on Tue Apr 01 21:10:04 GMT 2025 , Edited by admin on Tue Apr 01 21:10:04 GMT 2025
PRIMARY
SMS_ID
100000178428
Created by admin on Tue Apr 01 21:10:04 GMT 2025 , Edited by admin on Tue Apr 01 21:10:04 GMT 2025
PRIMARY
NCI_THESAURUS
C146807
Created by admin on Tue Apr 01 21:10:04 GMT 2025 , Edited by admin on Tue Apr 01 21:10:04 GMT 2025
PRIMARY
FDA UNII
7N13IK9LNH
Created by admin on Tue Apr 01 21:10:04 GMT 2025 , Edited by admin on Tue Apr 01 21:10:04 GMT 2025
PRIMARY
CAS
1876467-74-1
Created by admin on Tue Apr 01 21:10:04 GMT 2025 , Edited by admin on Tue Apr 01 21:10:04 GMT 2025
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> INHIBITOR
IC50
TRANSPORTER -> INHIBITOR
IC50
TRANSPORTER -> INHIBITOR
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TARGET -> INHIBITOR
IC50
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ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
PERMEABILITY PHARMACOKINETIC