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Compound Detail

CHEMBL5204961

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N#Cc1ccc(-n2ccc(CCCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5204961
Phase Preclinical
Structure Type MOL
InChI Key SNMWPPANYYGMNB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
4.03
ALogP
6
HBA
1
HBD
113.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16F3N5O3
MW 443.39
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -2.17

Literature References

PubMed DOI Target Context # Activities
36154033 10.1021/acs.jmedchem.2c00912 Androgen receptor 1

Data from ChEMBL 36 via Core Engine