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Compound Detail

CHEMBL442554

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Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(N2CCN(CC(=O)N3CCOCC3)CC2)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL442554
Phase Preclinical
Structure Type MOL
InChI Key MGPQKMLCRPUMJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
1.73
ALogP
7
HBA
2
HBD
108.0
PSA (Ų)
0.48
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 C23H28F2N6O3
MW 474.51
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.62

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