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Compound Detail

CHEMBL4103318

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CC1(C)Cc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C(C)(C)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4103318
Phase Preclinical
Structure Type MOL
InChI Key YXAHIQOMDIPDGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.9
MW (Da)
4.30
ALogP
4
HBA
4
HBD
96.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23ClN4O2S
MW 406.94
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
28992413 10.1021/acs.jmedchem.7b00932 No relevant target 1

Data from ChEMBL 36 via Core Engine