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Compound Detail

CHEMBL36730

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Cn1nnc2cc(C(N)=O)ccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36730
Phase Preclinical
Structure Type MOL
InChI Key RABSUFBAIBCCMS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
-0.57
ALogP
5
HBA
1
HBD
90.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8N4O2
MW 204.19
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.81

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7739008 10.1021/jm00009a010 TLX-5 1

Data from ChEMBL 36 via Core Engine