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Compound Detail

CHEMBL3594306

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Nc1nccc2cc(N[C@@H]3C(=O)NCc4cccc(c4)NC(=O)CCCc4ccc3cc4)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594306
Phase Preclinical
Structure Type MOL
InChI Key LXFPTSIBSQOGTO-SANMLTNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
4.56
ALogP
5
HBA
4
HBD
109.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N5O2
MW 465.56
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
26151189 10.1021/acs.jmedchem.5b00788 Coagulation factor VII/tissue factor 1

Data from ChEMBL 36 via Core Engine