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Compound Detail

CHEMBL293108

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CCOC(=O)C1CCCN(c2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL293108
Phase Preclinical
Structure Type MOL
InChI Key FHPCCRAETPUFNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
3.52
ALogP
6
HBA
2
HBD
101.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24F2N4O3
MW 418.44
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
9873451 10.1016/s0960-894x(98)00333-3 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine