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Compound Detail

CHEMBL3425879

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COc1ccc(-c2cnc3c(NCCc4ccccc4)snc3c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3425879
Phase Preclinical
Structure Type MOL
InChI Key DZEUYMRLPVRFQR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
5.03
ALogP
6
HBA
1
HBD
56.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O2S
MW 391.50
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
25822739 10.1021/jm501759m Cyclin-G-associated kinase 2

Data from ChEMBL 36 via Core Engine