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Compound Detail

CHEMBL1179439

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NCCCC(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179439
Phase Preclinical
Structure Type MOL
InChI Key AOFNEGJMWUVJQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

454.5
MW (Da)
5.33
ALogP
6
HBA
2
HBD
99.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N2O5P
MW 454.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00288E Kallikrein-8 1
- 10.1039/C5MD00288E Kallikrein-1 1
- 10.1039/C5MD00288E Kallikrein-2 1
- 10.1039/C5MD00288E Kallikrein-4 1
- 10.1039/C5MD00288E Urokinase-type plasminogen activator 1
- 10.1039/C5MD00288E Tissue-type plasminogen activator 1
- 10.1039/C5MD00288E Prothrombin 1
- 10.1039/C5MD00288E Plasminogen 1
- 10.1039/C5MD00288E Coagulation factor X 1
- 10.1039/C5MD00288E Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine