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Compound Detail

CHEMBL5079282

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Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc(-c2ccccc2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5079282
Phase Preclinical
Structure Type MOL
InChI Key PRRPEUFUCCWDOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
5.70
ALogP
5
HBA
1
HBD
48.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N4OS
MW 460.65
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
34957834 10.1021/acs.jmedchem.1c01746 Nuclear receptor ROR-gamma 3
34957834 10.1021/acs.jmedchem.1c01746 Dihydroorotate dehydrogenase (quinone), mitochondrial 2

Data from ChEMBL 36 via Core Engine