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Compound Detail

CHEMBL5205081

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O=c1c(-c2ccc(C(F)(F)F)cc2)c(-n2cncn2)oc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5205081
Phase Preclinical
Structure Type MOL
InChI Key KLOOVUXILKCLLC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.3
MW (Da)
4.06
ALogP
5
HBA
0
HBD
60.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H10F3N3O2
MW 357.29
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 200.0 nM 6.7 Inhibition of DMH-1 induced cardiogenesis in mouse ESC transfected with Myh6-GFP 35108017

Literature References

PubMed DOI Target Context # Activities
35108017 10.1021/acs.jmedchem.1c01800 Unchecked 13

Data from ChEMBL 36 via Core Engine