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Compound Detail

CHEMBL3765018

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COc1cc(/C=N/Nc2nc(C)c(C(C)=O)s2)cc(Br)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765018
Phase Preclinical
Structure Type MOL
InChI Key ZWOMTKHYLFKNFI-OMCISZLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.3
MW (Da)
3.58
ALogP
7
HBA
2
HBD
83.8
PSA (Ų)
0.47
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 C14H14BrN3O3S
MW 384.26
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
26822568 10.1016/j.bmc.2016.01.028 Unchecked 1

Data from ChEMBL 36 via Core Engine