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Compound Detail

CHEMBL5289802

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Cc1ccccc1N1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289802
Phase Preclinical
Structure Type MOL
InChI Key OAVKJGQSHHCTNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
5.33
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21N3O
MW 379.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
34990980 10.1016/j.bmc.2021.116595 GES1 1
34990980 10.1016/j.bmc.2021.116595 HGC-27 1
34990980 10.1016/j.bmc.2021.116595 HT-29 1
34990980 10.1016/j.bmc.2021.116595 HepG2 1
34990980 10.1016/j.bmc.2021.116595 A549 1
34990980 10.1016/j.bmc.2021.116595 MCF7 1

Data from ChEMBL 36 via Core Engine