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Compound Detail

CHEMBL5195372

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CCCC[C@H]1CN(c2ccccc2)C(=O)CN1Cc1cncn1Cc1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5195372
Phase Preclinical
Structure Type MOL
InChI Key HSEHGMWGCCSYFM-QHCPKHFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

481.4
MW (Da)
5.10
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29BrN4O
MW 481.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.04 6.04 920.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 920.0 nM 6.04 Inhibition of Cryptococcus neoformans farnesyltransferase assessed as inhibition... 36218371

Literature References

PubMed DOI Target Context # Activities
36218371 10.1021/acs.jmedchem.2c00902 Unchecked 1
36218371 10.1021/acs.jmedchem.2c00902 Cryptococcus neoformans 1

Data from ChEMBL 36 via Core Engine