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Compound Detail

CHEMBL5177518

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CCC#CCOc1ccc(C(c2cc3cc(Cl)ccc3o2)n2cncn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5177518
Phase Preclinical
Structure Type MOL
InChI Key FFBVFFBIHITHHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.9
MW (Da)
5.11
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18ClN3O2
MW 391.86
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
35834906 10.1016/j.ejmech.2022.114569 Aromatase 1

Data from ChEMBL 36 via Core Engine