AFN-1252

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: T3O718IKKM

Structure
InChI Key QXTWSUQCXCWEHF-JXMROGBWSA-N
Smile Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)oc2ccccc12
InChI
InChI=1S/C22H21N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24,26)/b10-7+

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H21N3O3
Molecular Weight 375.43
AlogP 3.69
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 75.44
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Enoyl-[acyl-carrier-protein] reductase (FabI) inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 14-9600 - - 96.1-100
Enzyme Transferase
- - - - 2.73-16.19
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -11.1-77.06

Cross References

Resources Reference
ChEMBL CHEMBL1652621
DrugBank DB12658
EPA CompTox DTXSID10211069
FDA SRS T3O718IKKM
Guide to Pharmacology 10755
PubChem 10407120
SureChEMBL SCHEMBL724936
ZINC ZINC000038795123
CONTENTS