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Compound Detail

CHEMBL5570951

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CC(C)(C)OC(=O)N1CCN(c2ccc3c4c(cccc24)C(=O)N(c2nc4ccccc4[nH]2)C3=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5570951
Phase Preclinical
Structure Type MOL
InChI Key KDKSELXBBYXHRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
4.57
ALogP
6
HBA
1
HBD
98.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N5O4
MW 497.56
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
37972528 10.1016/j.ejmech.2023.115937 MGC-803 1
37972528 10.1016/j.ejmech.2023.115937 HepG2 1
37972528 10.1016/j.ejmech.2023.115937 SK-OV-3 1
37972528 10.1016/j.ejmech.2023.115937 T-24 1

Data from ChEMBL 36 via Core Engine