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Compound Detail

CHEMBL138157

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Cc1cn(-c2cc(C)c3[nH]c(-c4ccncc4)nc3c2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138157
Phase Preclinical
Structure Type MOL
InChI Key ZNKZZXSUABHNEZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
3.43
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N5
MW 289.34
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.37

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1447745 10.1021/jm00101a024 Canis familiaris 4
1447745 10.1021/jm00101a024 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine