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Compound Detail

CHEMBL186174

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Clc1ccc(CN(Cc2ccc(Cl)cc2)c2nn[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL186174
Phase Preclinical
Structure Type MOL
InChI Key UOUXILZUBDIWQU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

334.2
MW (Da)
3.71
ALogP
4
HBA
1
HBD
57.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H13Cl2N5
MW 334.21
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.22

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 2
15456251 10.1021/jm049756p Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine