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Compound Detail

CHEMBL5595964

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COc1cc(S(=O)(=O)N(CCCCCCBr)c2ccc3c(ccn3C)c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5595964
Phase Preclinical
Structure Type MOL
InChI Key RNPLNOZQCMGJLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

539.5
MW (Da)
5.35
ALogP
6
HBA
0
HBD
70.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31BrN2O5S
MW 539.49
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
38959729 10.1016/j.ejmech.2024.116617 HeLa 1

Data from ChEMBL 36 via Core Engine