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Compound Detail

CHEMBL5219157

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O=C(Nc1ccc2[nH]ncc2n1)[C@H]1CCCN1C(=O)C1(c2ccc(F)cc2)CCC1

Basic Information

ChEMBL ID CHEMBL5219157
Phase Preclinical
Structure Type MOL
InChI Key ZLSIJSSCBSRUNF-GOSISDBHSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
3.15
ALogP
4
HBA
2
HBD
91.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22FN5O2
MW 407.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.71

Activity Summary

EC50 1 meas. best 7.0
IC50 1 meas. best 9.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase p300
CHEMBL3784
IC50 9.9 9.9 0.1 1
CREB-binding protein/Histone acetyltransferase p300
CHEMBL3883300
EC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36302181 10.1021/acs.jmedchem.2c00670 Histone acetyltransferase p300 1
36302181 10.1021/acs.jmedchem.2c00670 CREB-binding protein/Histone acetyltransferase p300 1
36302181 10.1021/acs.jmedchem.2c00670 No relevant target 1

Data from ChEMBL 36 via Core Engine