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Compound Detail

CHEMBL4597108

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CC(C)[C@H](C(=O)NCc1cc(F)ccn1)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597108
Phase Preclinical
Structure Type MOL
InChI Key IPERHNHZPVSTKP-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
1.64
ALogP
7
HBA
2
HBD
132.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21FN6O3S
MW 432.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.69

Data from ChEMBL 36 via Core Engine