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Compound Detail

CHEMBL3313995

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

Basic Information

ChEMBL ID CHEMBL3313995
Phase Preclinical
Structure Type MOL
InChI Key MDNCTLPREGRJBQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.7
MW (Da)
6.29
ALogP
3
HBA
1
HBD
65.1
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H40N2O2S
MW 444.69
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.90

Literature References

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

Data from ChEMBL 36 via Core Engine