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Compound Detail

CHEMBL144992

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N=C(N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NS(=O)(=O)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144992
Phase Preclinical
Structure Type MOL
InChI Key PZYOQLZCPIZDBR-RTWAWAEBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

546.6
MW (Da)
0.72
ALogP
6
HBA
6
HBD
194.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34N6O6S
MW 546.65
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
11738570 10.1016/s0960-894x(01)00667-9 Prothrombin 1

Data from ChEMBL 36 via Core Engine