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Compound Detail

CHEMBL354729

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CC(c1c[nH]cn1)c1scc(Br)c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354729
Phase Preclinical
Structure Type MOL
InChI Key YCEJIRSLWBFIQA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.1
MW (Da)
4.15
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8Br2N2S
MW 336.05
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine