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Compound Detail

CHEMBL3313992

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O=S(=O)(c1cc(F)ccc1OC(F)(F)F)N1Cc2nccnc2-n2ccnc2[C@H]1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3313992
Phase Preclinical
Structure Type MOL
InChI Key DMDMTZGNNRXWFZ-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

519.5
MW (Da)
4.19
ALogP
7
HBA
0
HBD
90.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17F4N5O3S
MW 519.48
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.17

Literature References

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

Data from ChEMBL 36 via Core Engine