Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL6058384

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1nnc(C[C@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc32)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6058384
Phase Preclinical
Structure Type MOL
InChI Key UJVLGUAVNBIVBE-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.9
MW (Da)
5.16
ALogP
6
HBA
0
HBD
56.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18ClN5S
MW 419.94
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 4
CHEMBL1163125
 IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bromodomain-containing protein 4 IC50 = 50.0 nM 7.3 Time-Resolved Fluorescence Resonance energy Transfer (TR-FRET) Assay: For this p... -

Data from ChEMBL 36 via Core Engine