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Compound Detail

CHEMBL80094

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c1ccc(-c2nn[nH]n2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL80094
Phase Preclinical
Structure Type MOL
InChI Key LQWXEEDCMLEVHU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

147.1
MW (Da)
0.26
ALogP
4
HBA
1
HBD
67.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H5N5
MW 147.14
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -2.26

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10411471 10.1021/jm990073x Serine/threonine-protein kinase mTOR 1
29551481 10.1016/j.bmcl.2018.03.002 Unchecked 1
36516476 10.1021/acs.jmedchem.2c01705 Focal adhesion kinase 1 1

Data from ChEMBL 36 via Core Engine