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Compound Detail

CHEMBL3401411

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Cl.O=C1CC2(N3CCOCC3)CC(c3ccccc3)C(N1)C(c1ccccc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3401411
Phase Preclinical
Structure Type MOL
InChI Key OFXGLTCLMSMEDE-UHFFFAOYSA-N
Parent Compound CHEMBL3547164
Active Moiety CHEMBL3547164
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
3.31
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29ClN2O2
MW 412.96
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.02

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25746816 10.1016/j.bmcl.2015.02.044 Unchecked 2
25746816 10.1016/j.bmcl.2015.02.044 L6 1
25746816 10.1016/j.bmcl.2015.02.044 Plasmodium falciparum 1
25746816 10.1016/j.bmcl.2015.02.044 Trypanosoma brucei rhodesiense 1

Data from ChEMBL 36 via Core Engine