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Compound Detail

CHEMBL433274

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CC(=N)N1CCC(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433274
Phase Preclinical
Structure Type MOL
InChI Key KTJRHEDUTSBJEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
3.19
ALogP
5
HBA
3
HBD
108.3
PSA (Ų)
0.54
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 C19H21F2N5O2
MW 389.41
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.84

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