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Compound Detail

CHEMBL4803770

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NC1=NC(c2ccc(F)cc2)C2=C(N1)/C(=C/c1ccc(F)cc1)CN(S(=O)(=O)c1ccc(Br)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803770
Phase Preclinical
Structure Type MOL
InChI Key DFTFOIUFYCOBQZ-QGOAFFKASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

571.5
MW (Da)
4.73
ALogP
5
HBA
2
HBD
87.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21BrF2N4O2S
MW 571.45
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.74

Data from ChEMBL 36 via Core Engine