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Compound Detail

CHEMBL4127248

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Cn1cc(-c2ccc(C#N)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4127248
Phase Preclinical
Structure Type MOL
InChI Key PEYWCWVZTNFROY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
1.96
ALogP
3
HBA
0
HBD
41.6
PSA (Ų)
0.68
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 C11H9N3
MW 183.21
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.31

Literature References

PubMed DOI Target Context # Activities
29878770 10.1021/acs.jmedchem.8b00328 ADMET 2
29878770 10.1021/acs.jmedchem.8b00328 Cytochrome P450 11B2, mitochondrial 1
29878770 10.1021/acs.jmedchem.8b00328 Cytochrome P450 11B1, mitochondrial 1

Data from ChEMBL 36 via Core Engine