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Compound Detail

CHEMBL5892280

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CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(N(C)C)n1)c1ccc(C(C)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5892280
Phase Preclinical
Structure Type MOL
InChI Key BSCHCYBFERXXOH-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.07
ALogP
4
HBA
2
HBD
78.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24F2N4O2
MW 378.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.91

Activity Summary

Ki 1 meas. best 9.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
 Ki 9.41 9.41 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-dependent 3',5'-cyclic phosphodiesterase Ki = 0.39 nM 9.41 PDE2 Assay B: The activity of the compounds in accordance with the present inven... -

Data from ChEMBL 36 via Core Engine