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Compound Detail

CHEMBL138315

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Cc1cn(-c2cc(C)c3[nH]c(-c4ccncc4)nc3c2)c(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138315
Phase Preclinical
Structure Type MOL
InChI Key NWRKYISYGYRYLQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.74
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 C18H17N5
MW 303.37
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.31

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1447745 10.1021/jm00101a024 Canis familiaris 6
1447745 10.1021/jm00101a024 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine