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Compound Detail

CHEMBL4207090

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Nc1nc(CCCNC(=O)c2cc(Br)c(Br)[nH]2)c[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4207090
Phase Preclinical
Structure Type MOL
InChI Key LTBPDTOBRXMEAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

391.1
MW (Da)
2.21
ALogP
3
HBA
4
HBD
99.6
PSA (Ų)
0.59
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 C11H13Br2N5O
MW 391.07
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.07

Literature References

PubMed DOI Target Context # Activities
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 1 1
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