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Compound Detail

CHEMBL2046714

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COc1cc2ncnc(Sc3nc(C)c(CC(=O)Nc4ccc(NC(C)=O)cc4)s3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2046714
Phase Preclinical
Structure Type MOL
InChI Key UZPKMLJANKPUHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
4.70
ALogP
9
HBA
2
HBD
115.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N5O4S2
MW 509.61
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
22452518 10.1021/jm300042x MV4-11 1
22452518 10.1021/jm300042x HCT-116 1

Data from ChEMBL 36 via Core Engine