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Compound Detail

CHEMBL136140

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Cc1nc2c(C/C=C/c3ccccc3)cccn2c1CC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL136140
Phase Preclinical
Structure Type MOL
InChI Key AXWHJOVBKUEUHO-WEVVVXLNSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
3.96
ALogP
3
HBA
0
HBD
41.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3
MW 287.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.69

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
1847427 10.1021/jm00106a008 Unchecked 5
9046332 10.1021/jm950700s Potassium-transporting ATPase 2
9046332 10.1021/jm950700s Canis familiaris 2
2754693 10.1021/jm00128a005 Rattus norvegicus 2
1847427 10.1021/jm00106a008 No relevant target 1
9046332 10.1021/jm950700s No relevant target 1
2754693 10.1021/jm00128a005 Canis familiaris 1

Data from ChEMBL 36 via Core Engine