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Compound Detail

CHEMBL551254

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CCC(c1ccc(-c2ccc(OC)cc2)cc1)n1ccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL551254
Phase Preclinical
Structure Type MOL
InChI Key MXGGEXTWVYTKEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
4.56
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N2O
MW 292.38
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
19211174 10.1016/j.ejmech.2009.01.002 Steroid 17-alpha-hydroxylase/17,20 lyase 2
19211174 10.1016/j.ejmech.2009.01.002 Cytochrome P450 3A4 2
20684610 10.1021/jm100317b Steroid 17-alpha-hydroxylase/17,20 lyase 1

Data from ChEMBL 36 via Core Engine