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Compound Detail

CHEMBL121010

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O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccc(Br)cc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL121010
Phase Preclinical
Structure Type MOL
InChI Key AFGGHSFDNGPAOO-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

461.4
MW (Da)
4.99
ALogP
3
HBA
1
HBD
52.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21BrN4O
MW 461.36
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.31

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
10602709 10.1021/jm990391w Protein farnesyltransferase 3
11020273 10.1021/jm000248z Protein farnesyltransferase 2

Data from ChEMBL 36 via Core Engine