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Compound Detail

CHEMBL4203801

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CC(C)(C)OC(=O)N1CCC(C(=O)NC/C=C/c2c[nH]c(N)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4203801
Phase Preclinical
Structure Type MOL
InChI Key CHBPDVYXONOTED-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
1.77
ALogP
5
HBA
3
HBD
113.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27N5O3
MW 349.44
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.56

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