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Compound Detail

CHEMBL269895

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Clc1ccccc1-c1nc2c3ccccc3c3ccccc3c2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL269895
Phase Preclinical
Structure Type MOL
InChI Key VVUCVIOCLRUJRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.9
MW (Da)
6.92
ALogP
2
HBA
0
HBD
12.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H12ClNS
MW 345.85
Aromatic Rings 5
Heavy Atoms 24
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
18029174 10.1016/j.bmcl.2007.10.033 Unchecked 1

Data from ChEMBL 36 via Core Engine