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Compound Detail

CHEMBL165324

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Oc1nc2ccccc2n2nnnc12

Basic Information

ChEMBL ID CHEMBL165324
Phase Preclinical
Structure Type MOL
InChI Key SECOVEPJEIBBPV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
0.38
ALogP
6
HBA
1
HBD
76.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H5N5O
MW 187.16
Aromatic Rings 3
Heavy Atoms 14
NP-Likeness -2.08

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81062-3 Glutamate receptor ionotropic, NMDA 1 1
- 10.1016/S0960-894X(01)81062-3 Glutamate receptor ionotropic AMPA 1
- 10.1016/S0960-894X(01)81062-3 Glutamate receptor ionotropic, NMDA 2C 1
24074844 10.1016/j.bmcl.2013.09.007 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine