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Compound Detail

CHEMBL1163683

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O=C1c2ccccc2NC(c2ccccc2)N1/N=C/c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1163683
Phase Preclinical
Structure Type MOL
InChI Key SIRXOGJLMFFGCX-OEAKJJBVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
4.43
ALogP
3
HBA
1
HBD
44.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16FN3O
MW 345.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
20494587 10.1016/j.bmc.2010.04.083 Thermolysin 1

Data from ChEMBL 36 via Core Engine