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Compound Detail

CHEMBL5572376

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CCCCN1C(=O)c2cccc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ccc(c23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5572376
Phase Preclinical
Structure Type MOL
InChI Key ZCWCTJDSUMLOPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
4.29
ALogP
5
HBA
0
HBD
70.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N3O4
MW 437.54
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.11

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