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Compound Detail

CHEMBL1650855

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CC(C)(C)N1CC(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1650855
Phase Preclinical
Structure Type MOL
InChI Key FAJQXZDDJBXFSQ-DENIHFKCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
4.96
ALogP
2
HBA
1
HBD
56.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23Cl2N3O2
MW 456.37
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
21189023 10.1021/jm100842v MDA-MB-231 2
21189023 10.1021/jm100842v cGMP-specific 3',5'-cyclic phosphodiesterase 2

Data from ChEMBL 36 via Core Engine