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Compound Detail

CHEMBL5185410

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Cc1ccccc1CN1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5185410
Phase Preclinical
Structure Type MOL
InChI Key DFCPABDJJAUVTF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

365.5
MW (Da)
4.30
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3O
MW 365.52
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.72

Activity Summary

EC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CHO-K1
CHEMBL614031
 EC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CHO-K1 EC50 = 2000.0 nM 5.7 Inhibition of polyamine uptake in chinese hamster CHO-K1 cells assessed as rescu... 36382923

Literature References

PubMed DOI Target Context # Activities
36382923 10.1021/acs.jmedchem.2c01350 L3.6pl 3
36382923 10.1021/acs.jmedchem.2c01350 CHO-K1 2
36382923 10.1021/acs.jmedchem.2c01350 Unchecked 2

Data from ChEMBL 36 via Core Engine