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Compound Detail

CHEMBL3355081

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CO[C@@H]1Cc2ccccc2CN(S(=O)(=O)c2cccc3cccnc23)[C@@H]1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3355081
Phase Preclinical
Structure Type MOL
InChI Key JAKRDRISHYDKOJ-JWQCQUIFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
4.61
ALogP
4
HBA
0
HBD
59.5
PSA (Ų)
0.44
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 C27H26N2O3S
MW 458.58
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
24502334 10.1021/jm401901d Nuclear receptor ROR-gamma 2

Data from ChEMBL 36 via Core Engine