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Compound Detail

CHEMBL5219693

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O=C(Nc1ccc2[nH]ncc2n1)[C@H]1CCCN1C(=O)C1(c2cccc(Cl)c2)CCCC1

Basic Information

ChEMBL ID CHEMBL5219693
Phase Preclinical
Structure Type MOL
InChI Key ZIFMZENSFYUYPH-LJQANCHMSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.9
MW (Da)
4.05
ALogP
4
HBA
2
HBD
91.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24ClN5O2
MW 437.93
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.70

Activity Summary

EC50 1 meas. best 7.9
IC50 1 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase p300
CHEMBL3784
IC50 9.8 9.8 0.2 1
CREB-binding protein/Histone acetyltransferase p300
CHEMBL3883300
EC50 7.9 7.9 12.6 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

Data from ChEMBL 36 via Core Engine