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Compound Detail

CHEMBL4582071

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CC(C)(C)CC(=O)Nc1nn2c(C(C)(C)C)ccnc2c1-c1ccc(OC(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4582071
Phase Preclinical
Structure Type MOL
InChI Key SNKATGBJOXUFDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
5.97
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27F3N4O2
MW 448.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
31416667 10.1016/j.bmcl.2019.08.007 Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) 1

Data from ChEMBL 36 via Core Engine