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Compound Detail

CHEMBL3581120

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COc1ccccc1CC(=O)Nc1nc(-c2ccncc2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3581120
Phase Preclinical
Structure Type MOL
InChI Key HSTLVYMXHNIYGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
3.39
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.78
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 C17H15N3O2S
MW 325.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
26039570 10.1021/acs.jmedchem.5b00424 cAMP-dependent protein kinase catalytic subunit alpha 1
26039570 10.1021/acs.jmedchem.5b00424 Rho-associated protein kinase 1 1

Data from ChEMBL 36 via Core Engine