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Compound Detail

CHEMBL3601491

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O=S(=O)(c1ccc2c(c1)/C(=N\O)c1ccc(S(=O)(=O)N3CC4C5CCC(C5)C4C3)cc1/C2=N/O)N1CC2C3CCC(C3)C2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3601491
Phase Preclinical
Structure Type MOL
InChI Key YMZHTEJLBICMAC-IUQQBYGBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

636.8
MW (Da)
3.79
ALogP
8
HBA
2
HBD
139.9
PSA (Ų)
0.33
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 C32H36N4O6S2
MW 636.80
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
26182238 10.1021/acs.jmedchem.5b00460 HT-29 1
26182238 10.1021/acs.jmedchem.5b00460 Unchecked 1

Data from ChEMBL 36 via Core Engine