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Compound Detail

CHEMBL4228160

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CCCN1CCC(NC(=O)Cc2ccc(OC/C=C/S(=O)(=O)c3ccccc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4228160
Phase Preclinical
Structure Type MOL
InChI Key NOVKRMWHOMOQDU-KPSZGOFPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
3.59
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N2O4S
MW 456.61
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
29609908 10.1016/j.bmcl.2018.03.039 HepG2 1
29609908 10.1016/j.bmcl.2018.03.039 Trypanosoma brucei 1
29609908 10.1016/j.bmcl.2018.03.039 Rhodesain 1

Data from ChEMBL 36 via Core Engine