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Compound Detail

CHEMBL5083524

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O=C(C1CCCC1)N1CCN(Cc2cccc(Nc3nc4ccccc4s3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5083524
Phase Preclinical
Structure Type MOL
InChI Key NCRQAZKJDJWJFX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
4.87
ALogP
5
HBA
1
HBD
48.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N4OS
MW 420.58
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.16

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