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Compound Detail

CHEMBL5590753

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

Basic Information

ChEMBL ID CHEMBL5590753
Phase Preclinical
Structure Type MOL
InChI Key JDWVRFFVJCEXDP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

497.4
MW (Da)
4.18
ALogP
6
HBA
0
HBD
70.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25BrN2O5S
MW 497.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.04

Literature References

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

Data from ChEMBL 36 via Core Engine