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Compound Detail

CHEMBL1650874

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CCN1CC(=O)N2[C@H](c3c(Cl)cccc3Cl)c3[nH]c4ccccc4c3C[C@@H]2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1650874
Phase Preclinical
Structure Type MOL
InChI Key HXESXPPXJASOLN-DYESRHJHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.3
MW (Da)
4.18
ALogP
2
HBA
1
HBD
56.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19Cl2N3O2
MW 428.32
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.43

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