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Compound Detail

CHEMBL5571223

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O=C1c2cccc3c(N4CCN(C(=S)SCc5ccccc5)CC4)ccc(c23)C(=O)N1Nc1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5571223
Phase Preclinical
Structure Type MOL
InChI Key ZFGZRVDHJYJJAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

539.7
MW (Da)
5.20
ALogP
7
HBA
1
HBD
68.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25N5O2S2
MW 539.69
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.26

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