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Compound Detail

CHEMBL1190082

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CCOC(=O)Cc1csc(NCc2cc(Br)cc3nc(O)c(O)nc23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190082
Phase Preclinical
Structure Type MOL
InChI Key JRTKOPNEMQTCKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.3
MW (Da)
2.98
ALogP
9
HBA
3
HBD
117.5
PSA (Ų)
0.50
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 C16H15BrN4O4S
MW 439.29
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.47

Data from ChEMBL 36 via Core Engine