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Compound Detail

CHEMBL5176084

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Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5176084
Phase Preclinical
Structure Type MOL
InChI Key MSVGQMRQKDSOMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

499.0
MW (Da)
4.73
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27ClN4O3S
MW 499.04
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.93

Literature References

PubMed DOI Target Context # Activities
35777102 10.1016/j.ejmech.2022.114560 Cytochrome c oxidase subunit 2 3
35777102 10.1016/j.ejmech.2022.114560 DNA topoisomerase 1 2
35777102 10.1016/j.ejmech.2022.114560 HT-29 1
35777102 10.1016/j.ejmech.2022.114560 RKO 1
35777102 10.1016/j.ejmech.2022.114560 LoVo 1
35777102 10.1016/j.ejmech.2022.114560 HCT-116 1
35777102 10.1016/j.ejmech.2022.114560 SW480 1

Data from ChEMBL 36 via Core Engine