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Compound Detail

CHEMBL6019094

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CN(C)c1nc2c(c(CO)nn2C(c2ccc(C(C)(F)F)c(F)c2)C2CC2)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL6019094
Phase Preclinical
Structure Type MOL
InChI Key QNGPJJNFOIDJQG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
2.93
ALogP
6
HBA
2
HBD
87.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22F3N5O2
MW 421.42
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.46

Activity Summary

Ki 2 meas. best 10.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
Ki 10.7 10.275 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine