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

Details

Stereochemistry RACEMIC
Molecular Formula C27H38N6O2
Molecular Weight 478.6296
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AF-DX-384

SMILES

CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CN=C24

InChI

InChIKey=MZDYABXXPZNUCT-UHFFFAOYSA-N
InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)

HIDE SMILES / InChI

Molecular Formula C27H38N6O2
Molecular Weight 478.6296
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:02:16 UTC 2023
Edited
by admin
on Sat Dec 16 20:02:16 UTC 2023
Record UNII
KFR8EX22KX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AF-DX-384
Code English
AFDX 384
Code English
11H-Pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide, N-[2-[2-[(dipropylamino)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo-
Systematic Name English
Code System Code Type Description
CAS
118290-26-9
Created by admin on Sat Dec 16 20:02:17 UTC 2023 , Edited by admin on Sat Dec 16 20:02:17 UTC 2023
PRIMARY
PUBCHEM
119357
Created by admin on Sat Dec 16 20:02:17 UTC 2023 , Edited by admin on Sat Dec 16 20:02:17 UTC 2023
PRIMARY
FDA UNII
KFR8EX22KX
Created by admin on Sat Dec 16 20:02:17 UTC 2023 , Edited by admin on Sat Dec 16 20:02:17 UTC 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
TARGET -> INHIBITOR
Kd
TARGET -> INHIBITOR
Kd
TARGET -> INHIBITOR
Kd
TARGET -> INHIBITOR
Kd
Related Record Type Details
ACTIVE MOIETY