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Compound Detail

CHEMBL36926

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CCCC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5CC(CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36926
Phase Preclinical
Structure Type MOL
InChI Key RKHWUAXLXKKFRJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

621.1
MW (Da)
7.75
ALogP
5
HBA
4
HBD
127.7
PSA (Ų)
0.14
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H29ClN4O5
MW 621.09
Aromatic Rings 6
Heavy Atoms 45
NP-Likeness -0.77

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10780911 10.1021/jm990514c NON-PROTEIN TARGET 1
10780911 10.1021/jm990514c Mus musculus 1

Data from ChEMBL 36 via Core Engine