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Compound Detail

CHEMBL5899608

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CC(C)C(c1ccc(C(C)(F)F)cc1)n1nc(CO)c2c(=O)[nH]c(N(C)C)nc21

Basic Information

ChEMBL ID CHEMBL5899608
Phase Preclinical
Structure Type MOL
InChI Key ODZGWLBZADADEQ-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
3.04
ALogP
6
HBA
2
HBD
87.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25F2N5O2
MW 405.45
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.64

Activity Summary

Ki 4 meas. best 10.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 10.4 9.895 0.0 2
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
Ki 10.19 9.955 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine