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Compound Detail

CHEMBL4637439

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CCOC(=O)c1c(-c2ccccc2)csc1NC(NC(=O)c1cccc2ccccc12)C(Cl)(Cl)Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4637439
Phase Preclinical
Structure Type MOL
InChI Key VYWMYGYZMVLOGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

547.9
MW (Da)
7.28
ALogP
5
HBA
2
HBD
67.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21Cl3N2O3S
MW 547.89
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
32435392 10.1021/acsmedchemlett.9b00639 Zinc finger protein GLI1 2
32435392 10.1021/acsmedchemlett.9b00639 A-375 1
32435392 10.1021/acsmedchemlett.9b00639 Daoy 1

Data from ChEMBL 36 via Core Engine