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Compound Detail

CHEMBL5764808

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CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(N(C)C)n1)c1ccc(C2CC2)c(F)c1

Basic Information

ChEMBL ID CHEMBL5764808
Phase Preclinical
Structure Type MOL
InChI Key RZGHPXYHZXFIBZ-GOSISDBHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
2.98
ALogP
4
HBA
2
HBD
78.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25FN4O2
MW 372.44
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.98

Activity Summary

Ki 2 meas. best 9.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GMP-stimulated 3',5'-cyclic nucleotide phosphodiesterase
CHEMBL3091263
Ki 9.51 9.51 0.3 1
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
Ki 9.44 9.44 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine