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Compound Detail

CHEMBL4541444

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COc1ccc(C2=NN(C(C)C)C(=O)[C@@H]3CC=CC[C@H]23)cc1-c1ccc(C(=O)NCC(N)=O)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4541444
Phase Preclinical
Structure Type MOL
InChI Key WDGVSDYSALFALL-DLBZAZTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
3.18
ALogP
6
HBA
2
HBD
114.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N4O4S
MW 480.59
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
31327675 10.1016/j.bmc.2019.06.027 Class 1 phosphodiesterase PDEB1 1

Data from ChEMBL 36 via Core Engine