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Compound Detail

CHEMBL55855

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Cc1c(F)c(NCCN(C)C)nc(Oc2cccc(C(=N)N)c2)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL55855
Phase Preclinical
Structure Type MOL
InChI Key OLRYMYFTAHTBMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
2.72
ALogP
5
HBA
3
HBD
87.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21F2N5O
MW 349.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.21

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