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Compound Detail

CHEMBL300796

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Cc1cccc(C)c1N1CCN(c2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL300796
Phase Preclinical
Structure Type MOL
InChI Key NEIZOKBCYFXBKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
4.69
ALogP
5
HBA
2
HBD
78.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27F2N5O
MW 451.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.00

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