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Compound Detail

CHEMBL4129567

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CN(C)Cc1c(-c2ccc(C#N)cc2)cnn1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4129567
Phase Preclinical
Structure Type MOL
InChI Key JUIBZJZXIHYCSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.02
ALogP
4
HBA
0
HBD
44.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N4
MW 240.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.71

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