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Compound Detail

CHEMBL163413

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O=C(O)c1ccc(C2CCCc3cncn32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL163413
Phase Preclinical
Structure Type MOL
InChI Key KLIYHHIBTVVFPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
2.51
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.88
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 C14H14N2O2
MW 242.28
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
1825337 10.1021/jm00106a038 Aromatase 1

Data from ChEMBL 36 via Core Engine