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Compound Detail

CHEMBL99212

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O=c1c2[nH]cnc2n(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99212
Phase Preclinical
Structure Type MOL
InChI Key WGCZTDFKIVQJCC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.3
MW (Da)
2.94
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13F3N4O2
MW 386.33
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.21

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
 IC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 IC50 = 20000.0 nM 4.7 Inhibition of PDE4 9873649

Literature References

PubMed DOI Target Context # Activities
9873649 10.1016/s0960-894x(98)00524-1 Phosphodiesterase 4 2

Data from ChEMBL 36 via Core Engine