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Compound Detail

CHEMBL5403039

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Clc1cccc(N2CCN(c3ccnc4c(Cl)cccc34)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403039
Phase Preclinical
Structure Type MOL
InChI Key KKNKJDBZBBIZCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

358.3
MW (Da)
4.87
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17Cl2N3
MW 358.27
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
36001933 10.1016/j.ejmech.2022.114638 Vimentin 3
36001933 10.1016/j.ejmech.2022.114638 HT-1080 1
36001933 10.1016/j.ejmech.2022.114638 RD 1
36001933 10.1016/j.ejmech.2022.114638 GCT 1
36001933 10.1016/j.ejmech.2022.114638 MCF7 1

Data from ChEMBL 36 via Core Engine