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Compound Detail

CHEMBL4080230

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CC[C@H](NC(=O)c1cnn2cc(C)cnc12)c1ccc(OC(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4080230
Phase Preclinical
Structure Type MOL
InChI Key CXEGBNQZVKLHTO-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.82
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17F3N4O2
MW 378.35
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
28759228 10.1021/acs.jmedchem.7b00709 cGMP-dependent 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine