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Compound Detail

CHEMBL231121

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N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL231121
Phase Preclinical
Structure Type MOL
InChI Key BUYOOVDGMGEACG-KCJUWKMLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.1
MW (Da)
1.77
ALogP
4
HBA
1
HBD
84.6
PSA (Ų)
0.80
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 C13H9Cl2N3O3
MW 326.14
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
17292608 10.1016/j.bmcl.2007.01.076 Androgen receptor 2

Data from ChEMBL 36 via Core Engine