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Compound Detail

CHEMBL3601485

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CC1(C)CCCN(S(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)N4CCCC(C)(C)C4)ccc2C3=NO)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3601485
Phase Preclinical
Structure Type MOL
InChI Key XVJVGXSZROFNRR-IDDWGTJGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

588.8
MW (Da)
4.07
ALogP
8
HBA
2
HBD
139.9
PSA (Ų)
0.35
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 C28H36N4O6S2
MW 588.75
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.48

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