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Compound Detail

CHEMBL4215589

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COc1ccc2[nH]c(C(=O)NC/C=C/c3c[nH]c(N)n3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4215589
Phase Preclinical
Structure Type MOL
InChI Key KMZOBLJWCCZDOL-NSCUHMNNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
1.93
ALogP
4
HBA
4
HBD
108.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N5O2
MW 311.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
28802123 10.1016/j.ejmech.2017.08.015 Potassium voltage-gated channel subfamily A member 1 2
28802123 10.1016/j.ejmech.2017.08.015 Potassium voltage-gated channel subfamily A member 3 2
28802123 10.1016/j.ejmech.2017.08.015 Potassium voltage-gated channel subfamily A member 2 1
28802123 10.1016/j.ejmech.2017.08.015 Potassium voltage-gated channel subfamily A member 4 1
28802123 10.1016/j.ejmech.2017.08.015 Potassium voltage-gated channel subfamily A member 5 1
28802123 10.1016/j.ejmech.2017.08.015 Potassium voltage-gated channel subfamily A member 6 1
28802123 10.1016/j.ejmech.2017.08.015 Voltage-gated delayed rectifier potassium channel KCNH1 1

Data from ChEMBL 36 via Core Engine