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Compound Detail

CHEMBL5177604

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Cn1c2ccccc2c2c(C(=O)NC3CCCCC3)c3cc(Cl)ccc3nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5177604
Phase Preclinical
Structure Type MOL
InChI Key JITDTTPRFXPFNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

391.9
MW (Da)
5.60
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22ClN3O
MW 391.90
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
34710743 10.1016/j.ejmech.2021.113938 A549 1
34710743 10.1016/j.ejmech.2021.113938 MCF7 1
34710743 10.1016/j.ejmech.2021.113938 HeLa 1
34710743 10.1016/j.ejmech.2021.113938 DU-145 1

Data from ChEMBL 36 via Core Engine