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Compound Detail

CHEMBL152662

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COC(=O)C1Cc2[nH]cnc2C(c2c(CO)cnc(C)c2O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152662
Phase Preclinical
Structure Type MOL
InChI Key SQQRDIAUTMZIQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
0.09
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N4O4
MW 318.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
6325688 10.1021/jm00371a002 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine