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Compound Detail

CHEMBL168762

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O=C1c2ccccc2CCC1C(O)c1ccnnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL168762
Phase Preclinical
Structure Type MOL
InChI Key HEXXQXPBBNSYQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
1.96
ALogP
4
HBA
1
HBD
63.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N2O2
MW 254.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
8632407 10.1021/jm950377t Aromatase 1
8632407 10.1021/jm950377t Steroid 17-alpha-hydroxylase/17,20 lyase 1
8632407 10.1021/jm950377t Cytochrome P450 11B2, mitochondrial 1

Data from ChEMBL 36 via Core Engine