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Compound Detail

CHEMBL591677

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CC(=O)N/N=c1\sc2cc(OC(F)(F)F)ccc2n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL591677
Phase Preclinical
Structure Type MOL
InChI Key PINBTIXKIMTDHZ-YBEGLDIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
2.09
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.86
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 C11H10F3N3O2S
MW 305.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
20020710 10.1021/jm901497b Mus musculus 3
20020710 10.1021/jm901497b Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) 1
20020710 10.1021/jm901497b Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine