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Compound Detail

CHEMBL1741023

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O=C(O)C1=CS[C@@H]2/C(=C\c3cn4c(n3)sc3cc(F)ccc34)C(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1741023
Phase Preclinical
Structure Type MOL
InChI Key RLOBCNKTHMNWDX-RXTQTKKPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
2.91
ALogP
6
HBA
1
HBD
74.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H8FN3O3S2
MW 373.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.34

Data from ChEMBL 36 via Core Engine