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Compound Detail

CHEMBL3313996

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Cc1c(S(=O)(=O)NCCO)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3313996
Phase Preclinical
Structure Type MOL
InChI Key OLCHQIAPBFUJIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.7
MW (Da)
5.91
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.51
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 C28H44N2O3S
MW 488.74
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.84

Literature References

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

Data from ChEMBL 36 via Core Engine