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Compound Detail

CHEMBL597330

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CN(/N=c1\sc2ccccc2n1C)C(=O)C12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL597330
Phase Preclinical
Structure Type MOL
InChI Key LNVOJLLZYXSOSZ-VZCXRCSSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
3.73
ALogP
4
HBA
0
HBD
37.6
PSA (Ų)
0.76
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 C20H25N3OS
MW 355.51
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.18

Literature References

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

Data from ChEMBL 36 via Core Engine