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Compound Detail

CHEMBL410246

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O[C@H](Cc1ccc(Br)cc1)CN1C2CCC1CC(c1ccccc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL410246
Phase Preclinical
Structure Type MOL
InChI Key IYFITMLPVWGURC-SGRJHTIQSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
4.76
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.78
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 C22H26BrNO
MW 400.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.06

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18324757 10.1021/jm700961r Unchecked 1

Data from ChEMBL 36 via Core Engine