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Compound Detail

CHEMBL5193196

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CNC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(O)ccn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5193196
Phase Preclinical
Structure Type MOL
InChI Key IBTJSQMTRVRKCB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.4
MW (Da)
2.29
ALogP
7
HBA
4
HBD
120.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20FN5O4
MW 437.43
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
34962793 10.1021/acs.jmedchem.1c01864 CREB-binding protein 2
34962793 10.1021/acs.jmedchem.1c01864 LNCaP C4-2B 1

Data from ChEMBL 36 via Core Engine