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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19ClFN7
Molecular Weight 387.842
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FALNIDAMOL

SMILES

CN1CCC(CC1)NC2=NC3=C(NC4=CC=C(F)C(Cl)=C4)N=CN=C3C=N2

InChI

InChIKey=FTFRZXFNZVCRSK-UHFFFAOYSA-N
InChI=1S/C18H19ClFN7/c1-27-6-4-11(5-7-27)25-18-21-9-15-16(26-18)17(23-10-22-15)24-12-2-3-14(20)13(19)8-12/h2-3,8-11H,4-7H2,1H3,(H,21,25,26)(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C18H19ClFN7
Molecular Weight 387.842
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:17:42 UTC 2023
Edited
by admin
on Fri Dec 15 16:17:42 UTC 2023
Record UNII
0MU316797D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FALNIDAMOL
INN   WHO-DD  
INN  
Official Name English
BIBX1382
Common Name English
Falnidamol [WHO-DD]
Common Name English
8-(3-CHLORO-4-FLUOROANILINO)-2-((1-METHYL-4-PIPERIDYL)AMINO)PYRIMIDO(5,4-D)PYRIMIDINE
Systematic Name English
BIBX-1382
Code English
falnidamol [INN]
Common Name English
BIBX 1382
Code English
Classification Tree Code System Code
NCI_THESAURUS C2167
Created by admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
NCI_THESAURUS C1967
Created by admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
Code System Code Type Description
SMS_ID
100000127711
Created by admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
PRIMARY
CAS
196612-93-8
Created by admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
PRIMARY
EVMPD
SUB33798
Created by admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
PRIMARY
FDA UNII
0MU316797D
Created by admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
PRIMARY
INN
7857
Created by admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
PRIMARY
DRUG BANK
DB12966
Created by admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
PRIMARY
PUBCHEM
6918508
Created by admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
PRIMARY
NCI_THESAURUS
C80868
Created by admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
PRIMARY
ChEMBL
CHEMBL258940
Created by admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID0048399
Created by admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
Failed due to undetected hAOX-mediated oxidation.
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC