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Compound Detail

CHEMBL5905822

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CC(=O)NNC(=O)C[C@H]1C=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5905822
Phase Preclinical
Structure Type MOL
InChI Key FJVJOYICLVDPBD-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.9
MW (Da)
3.32
ALogP
5
HBA
2
HBD
88.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20ClN5O2
MW 421.89
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 4
CHEMBL1163125
 IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bromodomain-containing protein 4 IC50 = 40.0 nM 7.4 Time-Resolved Fluorescence Resonance energy Transfer (TR-FRET) Assay: For this p... -

Data from ChEMBL 36 via Core Engine