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Compound Detail

CHEMBL6007933

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CC(c1ccc(C(C)(F)F)cc1F)n1nc(CO)c2c(=O)[nH]c(N(C)C)nc21

Basic Information

ChEMBL ID CHEMBL6007933
Phase Preclinical
Structure Type MOL
InChI Key CWNVMPFPANYAIU-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
2.54
ALogP
6
HBA
2
HBD
87.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20F3N5O2
MW 395.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.77

Activity Summary

Ki 3 meas. best 9.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 9.74 9.74 0.2 1
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
Ki 9.64 8.87 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine