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Details

Stereochemistry ACHIRAL
Molecular Formula C22H20N6O4
Molecular Weight 432.432
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Nerigliatin

SMILES

CN(C)C(=O)C1=NC=C(OC2=C3C=C(C)OC3=CC(=C2)C(=O)NC4=NC=C(C)N=C4)C=N1

InChI

InChIKey=MASKQITXHVYVFL-UHFFFAOYSA-N
InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)

HIDE SMILES / InChI

Molecular Formula C22H20N6O4
Molecular Weight 432.432
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.19 µM [EC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:41:52 GMT 2023
Edited
by admin
on Sat Dec 16 01:41:52 GMT 2023
Record UNII
7E99B9ZM19
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Nerigliatin
Common Name English
PF-04937319
Code English
2-Pyrimidinecarboxamide, N,N-dimethyl-5-[[2-methyl-6-[[(5-methyl-2-pyrazinyl)amino]carbonyl]-4-benzofuranyl]oxy]-
Systematic Name English
nerigliatin [INN]
Common Name English
N,N-Dimethyl-5-[[2-methyl-6-[[(5-methyl-2-pyrazinyl)amino]carbonyl]-4-benzofuranyl]oxy]-2-pyrimidinecarboxamide
Systematic Name English
Code System Code Type Description
DRUG BANK
DB15009
Created by admin on Sat Dec 16 01:41:52 GMT 2023 , Edited by admin on Sat Dec 16 01:41:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID801336892
Created by admin on Sat Dec 16 01:41:52 GMT 2023 , Edited by admin on Sat Dec 16 01:41:52 GMT 2023
PRIMARY
PUBCHEM
46916694
Created by admin on Sat Dec 16 01:41:52 GMT 2023 , Edited by admin on Sat Dec 16 01:41:52 GMT 2023
PRIMARY
SMS_ID
300000041330
Created by admin on Sat Dec 16 01:41:52 GMT 2023 , Edited by admin on Sat Dec 16 01:41:52 GMT 2023
PRIMARY
CAS
1245603-92-2
Created by admin on Sat Dec 16 01:41:52 GMT 2023 , Edited by admin on Sat Dec 16 01:41:52 GMT 2023
PRIMARY
FDA UNII
7E99B9ZM19
Created by admin on Sat Dec 16 01:41:52 GMT 2023 , Edited by admin on Sat Dec 16 01:41:52 GMT 2023
PRIMARY
INN
12409
Created by admin on Sat Dec 16 01:41:52 GMT 2023 , Edited by admin on Sat Dec 16 01:41:52 GMT 2023
PRIMARY