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Compound Detail

CHEMBL138664

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O=C(c1nccs1)[C@H](CCCCO)NC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138664
Phase Preclinical
Structure Type MOL
InChI Key RIWDXZRTHJMZRM-DQEYMECFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

519.7
MW (Da)
4.19
ALogP
6
HBA
2
HBD
99.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33N3O4S
MW 519.67
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
12238922 10.1021/jm011110z Prothrombin 1

Data from ChEMBL 36 via Core Engine