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Compound Detail

CHEMBL3601490

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CC(C)(C)C1CCCN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CCCC(C(C)(C)C)CC4)ccc2C3=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3601490
Phase Preclinical
Structure Type MOL
InChI Key HOFJNVGEDCWCDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

642.9
MW (Da)
6.14
ALogP
6
HBA
0
HBD
108.9
PSA (Ų)
0.34
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H46N2O6S2
MW 642.88
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness -0.62

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