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Compound Detail

CHEMBL179894

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CCOC(=O)c1sc(Nc2nc(N3CCN(C)CC3)c3c(n2)N(Cc2cc(OC)c(OC)c(OC)c2)CCC3)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL179894
Phase Preclinical
Structure Type MOL
InChI Key QDDUTSNRPWHNAI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

597.7
MW (Da)
3.89
ALogP
13
HBA
1
HBD
114.4
PSA (Ų)
0.34
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39N7O5S
MW 597.74
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -1.25

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15780616 10.1016/j.bmcl.2005.02.025 Unchecked 6

Data from ChEMBL 36 via Core Engine