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Compound Detail

CHEMBL1621648

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CCOC(=O)c1c(CSC(=N)N)n(C)c2cc(Br)c(OC(C)=O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1621648
Phase Preclinical
Structure Type MOL
InChI Key WVVNFQKEGWCRFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.3
MW (Da)
3.17
ALogP
7
HBA
2
HBD
107.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18BrN3O4S
MW 428.31
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine