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Compound Detail

CHEMBL5868732

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Cc1nc2c(c(C3CC3)nn2[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5868732
Phase Preclinical
Structure Type MOL
InChI Key VHMPTEZWTNAXPL-JTQLQIEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
4.01
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F3N4O2
MW 392.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
 IC50 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-dependent 3',5'-cyclic phosphodiesterase IC50 = 1.5 nM 8.82 Proximity Ligation Assay: Isolated cardiomyocytes were washed twice in PBS at ro... -

Data from ChEMBL 36 via Core Engine