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Compound Detail

CHEMBL611480

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C=CC1CN2CCC1CC2[C@H](O)c1ccnc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL611480
Phase Preclinical
Structure Type MOL
InChI Key KMPWYEUPVWOPIM-NAHPKXJFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.16
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O
MW 294.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.88

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15225721 10.1016/j.bmcl.2004.05.031 Unchecked 1

Data from ChEMBL 36 via Core Engine