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Compound Detail

CHEMBL5185311

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CN1C(=S)[C@@H](NC(=O)c2nc(Cc3ccccc3)n(C3CCN(C(=O)OC(C)(C)C)CC3)n2)COc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5185311
Phase Preclinical
Structure Type MOL
InChI Key LGRQMDLULLCRHI-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

576.7
MW (Da)
4.40
ALogP
8
HBA
1
HBD
101.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36N6O4S
MW 576.72
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
35398729 10.1016/j.ejmech.2022.114345 HT-29 2

Data from ChEMBL 36 via Core Engine