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Compound Detail

CHEMBL3601480

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CCOC1CCN(S(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)N4CCC(OCC)CC4)ccc2C3=NO)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3601480
Phase Preclinical
Structure Type MOL
InChI Key PIUNNIQSTICENL-ZUELCTOOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

620.8
MW (Da)
2.83
ALogP
10
HBA
2
HBD
158.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H36N4O8S2
MW 620.75
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness -0.70

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