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Compound Detail

CHEMBL385589

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c1ccc(CCn2ccnc2)cc1

Basic Information

ChEMBL ID CHEMBL385589
Phase Preclinical
Structure Type MOL
InChI Key SSENHTOBLYRWKU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

172.2
MW (Da)
2.13
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.69
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 C11H12N2
MW 172.23
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.37

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16870430 10.1016/j.bmcl.2006.06.092 Steroid 17-alpha-hydroxylase/17,20 lyase 4
- 10.1584/jpestics.21.337 Bombyx mori 2
25036789 10.1016/j.ejmech.2014.06.078 Indoleamine 2,3-dioxygenase 1 1
25036789 10.1016/j.ejmech.2014.06.078 No relevant target 1

Data from ChEMBL 36 via Core Engine