SAR-405838

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8570LZ3RCA

Structure
InChI Key IDKAKZRYYDCJDU-HBMMIIHUSA-N
Smile CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
InChI
InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H34Cl2FN3O3
Molecular Weight 562.51
AlogP 5.3
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 90.46
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 38.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -29.91--2.81
Other nuclear protein
- 100 2.7 0.88-10 -
Transcription factor
- - - 1.3 -
Unclassified protein
- - - 36775 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2381408
DrugBank DB12541
FDA SRS 8570LZ3RCA
PDB 7HC
SureChEMBL SCHEMBL3704267
ZINC ZINC000145424989
CONTENTS