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Compound Detail

CHEMBL4595485

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O=C(NCc1ncccc1F)c1nc(CCNCCc2nc3ccccc3[nH]2)sc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595485
Phase Preclinical
Structure Type MOL
InChI Key QVSXGLHXJIJDML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.9
MW (Da)
3.51
ALogP
6
HBA
3
HBD
95.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20ClFN6OS
MW 458.95
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.81

Data from ChEMBL 36 via Core Engine