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Compound Detail

CHEMBL3763960

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CCOC(=O)Cc1csc(N/N=C/c2cc(Br)c(O)c(Br)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763960
Phase Preclinical
Structure Type MOL
InChI Key HPFDODIOZRTJML-UBKPWBPPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.1
MW (Da)
3.93
ALogP
7
HBA
2
HBD
83.8
PSA (Ų)
0.39
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 C14H13Br2N3O3S
MW 463.15
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.67

Literature References

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

Data from ChEMBL 36 via Core Engine