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Compound Detail

CHEMBL5523562

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Cc1ccc(N2CCC(NC(=O)C(=O)c3c[nH]c4ccc(Br)cc34)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5523562
Phase Preclinical
Structure Type MOL
InChI Key FRTCELCKOMDMAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.3
MW (Da)
3.34
ALogP
3
HBA
2
HBD
82.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18BrN3O3
MW 440.30
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
38919032 10.1021/acs.jmedchem.4c00242 MHCC97H 1
38919032 10.1021/acs.jmedchem.4c00242 HCCLM3 1

Data from ChEMBL 36 via Core Engine