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Compound Detail

CHEMBL251070

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CC(C)N(C(NCc1ccc(Cl)cc1)=[N+](C)C)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL251070
Phase Preclinical
Structure Type MOL
InChI Key XJJYCCQIXOJVOA-UHFFFAOYSA-O
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.9
MW (Da)
4.10
ALogP
0
HBA
1
HBD
18.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H31ClN3+
MW 336.93
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.21

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18211009 10.1021/jm701130z Cytochrome P450 2C9 1

Data from ChEMBL 36 via Core Engine