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Compound Detail

CHEMBL45506

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Cc1csc(NC(=O)C(=O)c2cn(Cc3cc(C(C)C)no3)c3ccccc23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL45506
Phase Preclinical
Structure Type MOL
InChI Key XYJZWLSUPCLJCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
4.39
ALogP
7
HBA
1
HBD
90.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O3S
MW 408.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -2.15

Literature References

PubMed DOI Target Context # Activities
12699388 10.1021/jm020471r No relevant target 1
12699388 10.1021/jm020471r NUGC-3 1

Data from ChEMBL 36 via Core Engine