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Compound Detail

CHEMBL4549696

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Cc1cc2ncn(Cc3ccc(O)c4ncccc34)c2cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4549696
Phase Preclinical
Structure Type MOL
InChI Key FPUGBRWKTVEICK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.96
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O
MW 303.37
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
30529546 10.1016/j.ejmech.2018.11.018 Bromodomain-containing protein 4 2
30529546 10.1016/j.ejmech.2018.11.018 MV4-11 1
30529546 10.1016/j.ejmech.2018.11.018 MDA-MB-231 1
30529546 10.1016/j.ejmech.2018.11.018 MM1.S 1

Data from ChEMBL 36 via Core Engine