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Compound Detail

CHEMBL5921889

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CN(C)c1nc(C(=O)N[C@](C)(CO)c2ccc(C(F)(F)F)cc2Cl)cc(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5921889
Phase Preclinical
Structure Type MOL
InChI Key VURLUSKXDGUMBQ-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.8
MW (Da)
2.15
ALogP
5
HBA
3
HBD
98.3
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 C17H18ClF3N4O3
MW 418.80
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.97

Activity Summary

Ki 1 meas. best 9.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
 Ki 9.28 9.28 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-dependent 3',5'-cyclic phosphodiesterase Ki = 0.52 nM 9.28 PDE2 Assay B: The activity of the compounds in accordance with the present inven... -

Data from ChEMBL 36 via Core Engine