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Compound Detail

CHEMBL368385

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Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5o4)CC3=O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368385
Phase Preclinical
Structure Type MOL
InChI Key RHNOCRDXDQOBDB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
2.85
ALogP
7
HBA
1
HBD
101.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19ClN6O2
MW 422.88
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
11958994 10.1016/s0960-894x(02)00056-2 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine