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Compound Detail

CHEMBL4163875

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Cc1cccc2c1NC(c1c[nH]nc1-c1ccccc1)NC2=O

Basic Information

ChEMBL ID CHEMBL4163875
Phase Preclinical
Structure Type MOL
InChI Key KEMHYEVBOSHYSQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.24
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.68
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 C18H16N4O
MW 304.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
29723786 10.1016/j.ejmech.2018.04.045 Transient receptor potential cation channel subfamily M member 2 3

Data from ChEMBL 36 via Core Engine