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Compound Detail

CHEMBL2235941

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O=c1oc2ccc(Cl)cc2n1CCCN1CCN(c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL2235941
Phase Preclinical
Structure Type MOL
InChI Key CTYDRTOCLKBQGT-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

371.9
MW (Da)
3.46
ALogP
5
HBA
0
HBD
41.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClN3O2
MW 371.87
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.80

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9367-5 Aspergillus niger 2
- 10.1007/s00044-010-9367-5 Rhizopus arrhizus 2
- 10.1007/s00044-010-9367-5 Saccharomyces cerevisiae 2
- 10.1007/s00044-010-9367-5 Candida albicans 2
- 10.1007/s00044-010-9353-y SW480 1
- 10.1007/s00044-010-9353-y A549 1
- 10.1007/s00044-010-9353-y MCF7 1
- 10.1007/s00044-010-9353-y HeLa 1
- 10.1007/s00044-010-9367-5 Klebsiella pneumoniae 1
- 10.1007/s00044-010-9367-5 Pseudomonas aeruginosa 1
- 10.1007/s00044-010-9367-5 Escherichia coli 1
- 10.1007/s00044-010-9367-5 Staphylococcus epidermidis 1
- 10.1007/s00044-010-9367-5 Staphylococcus aureus 1
- 10.1007/s00044-010-9367-5 Bacillus subtilis 1

Data from ChEMBL 36 via Core Engine