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Compound Detail

CHEMBL5595756

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

Basic Information

ChEMBL ID CHEMBL5595756
Phase Preclinical
Structure Type MOL
InChI Key ABUKNLHWQKAXGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

511.4
MW (Da)
4.57
ALogP
6
HBA
0
HBD
70.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27BrN2O5S
MW 511.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.01

Literature References

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

Data from ChEMBL 36 via Core Engine