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Compound Detail

CHEMBL4538258

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O=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1cccc(S(=O)(=O)NC2CCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4538258
Phase Preclinical
Structure Type MOL
InChI Key XXMKEXIXEOIOFH-PTGBLXJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.9
MW (Da)
3.35
ALogP
5
HBA
3
HBD
107.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClN3O4S
MW 447.94
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
27524309 10.1016/j.bmcl.2015.06.054 Lysine-specific histone demethylase 1A 3

Data from ChEMBL 36 via Core Engine