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Compound Detail

CHEMBL404957

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CC(C)C[C@H](N)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL404957
Phase Preclinical
Structure Type MOL
InChI Key OBQXZDOJHLJHCX-LBPRGKRZSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
2.23
ALogP
6
HBA
1
HBD
99.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18FN3O3S
MW 327.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.11

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
18333608 10.1021/jm701500e Unchecked 6
18333608 10.1021/jm701500e Cruzipain 2
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine