Details of the Drug

General Information of Drug (ID: DMCGX9Y)

Drug Name
SNDX-5613
Synonyms 2169919-21-3; SNDX5613; SCHEMBL19693219; SCHEMBL19693428; EX-A4343; NSC825775; NSC-825775; HY-136175; CS-0120274
Indication
Disease Entry ICD 11 Status REF
T lymphoblastic leukaemia 2B33.4 Phase 1/2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 630.8
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C32H47FN6O4S
IUPAC Name
N-ethyl-2-[4-[7-[[4-(ethylsulfonylamino)cyclohexyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N-propan-2-ylbenzamide
Canonical SMILES
CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)CC
InChI
InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3
InChIKey
FRVSRBKUQZKTOW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
132212657
TTD ID
D97YGW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Menin-MLL1 interaction (MEN1-KMT2A PPI) TT0CZBQ MEN1_HUMAN-KMT2A_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT04065399) A Study of SNDX-5613 in R/R Leukemias Including Those With an MLLr/KMT2A Gene Rearrangement or NPM1 Mutation (AUGMENT-101). U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of Syndax Pharmaceuticals.