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Compound Detail

CHEMBL4636297

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C/C=C\Cc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O

Basic Information

ChEMBL ID CHEMBL4636297
Phase Preclinical
Structure Type MOL
InChI Key SDZLXWXQFRHLMT-PLNGDYQASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
2.26
ALogP
6
HBA
1
HBD
53.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N5O
MW 367.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.01

Activity Summary

Ki 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 9
CHEMBL3108640
Ki 6.6 6.6 251.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32410449 10.1021/acs.jmedchem.0c00075 Unchecked 2
32410449 10.1021/acs.jmedchem.0c00075 No relevant target 1
32410449 10.1021/acs.jmedchem.0c00075 Bromodomain-containing protein 9 1
32410449 10.1021/acs.jmedchem.0c00075 Peregrin 1
32410449 10.1021/acs.jmedchem.0c00075 Bromodomain-containing protein 4 1

Data from ChEMBL 36 via Core Engine