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Compound Detail

CHEMBL5938025

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CN(C)c1nc2c(c(CF)nn2C(c2ccc(C(F)(F)F)cc2)C2CC2)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL5938025
Phase Preclinical
Structure Type MOL
InChI Key AMYHFMSGGYNCHJ-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
3.67
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F4N5O
MW 409.39
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.79

Activity Summary

Ki 3 meas. best 10.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
Ki 10.14 9.55 0.1 2
Unchecked
CHEMBL612545
Ki 10.14 10.14 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine