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Compound Detail

CHEMBL3125374

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COc1ccc(CSc2nnc(-c3ccncc3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3125374
Phase Preclinical
Structure Type MOL
InChI Key BTIVMESQJSOEIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
3.43
ALogP
6
HBA
0
HBD
61.0
PSA (Ų)
0.67
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 C15H13N3O2S
MW 299.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
24560539 10.1016/j.bmcl.2014.01.078 Brain 3
24560539 10.1016/j.bmcl.2014.01.078 ADMET 3
24560539 10.1016/j.bmcl.2014.01.078 Serum 3
24560539 10.1016/j.bmcl.2014.01.078 Fibroblast 2

Data from ChEMBL 36 via Core Engine