L-778123

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2A2059P49U

Structure
InChI Key JNUGFGAVPBYSHF-UHFFFAOYSA-N
Smile N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1
InChI
InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H20ClN5O
Molecular Weight 405.89
AlogP 3.31
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 65.16
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 16.87
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -17.85--2.17

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 1 D008223 ClinicalTrials

Cross References

Resources Reference
ChEBI 180478
ChEMBL CHEMBL4297396
DrugBank DB07227
EPA CompTox DTXSID60180034
FDA SRS 2A2059P49U
PDB 778
PubChem 216454
SureChEMBL SCHEMBL1683541
ChEBI 180478
ChEMBL CHEMBL279433
DrugBank DB07227
FDA SRS 2A2059P49U
PDB 778
PubChem 216454
SureChEMBL SCHEMBL1683541
ZINC ZINC000053070632
CONTENTS