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Compound Detail

CHEMBL90631

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C/N=C(\NC#N)Nc1ccc(C#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL90631
Phase Preclinical
Structure Type MOL
InChI Key MBBXNSSLTRYCGK-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
1.03
ALogP
3
HBA
2
HBD
84.0
PSA (Ų)
0.31
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 C10H9N5
MW 199.22
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.69

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
9464357 10.1021/jm970762d Rattus norvegicus 2
9464357 10.1021/jm970762d Sulfonylurea receptor 2, Kir6.2 1
- 10.1016/S0960-894X(00)80661-7 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine