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Compound Detail

CHEMBL334701

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NCCCC[C@H](NC(=O)CN(C1CC1)C1Cc2ccccc2C1)C(=O)c1nccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334701
Phase Preclinical
Structure Type MOL
InChI Key JSKMVHUXIFUGCO-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.6
MW (Da)
2.57
ALogP
6
HBA
2
HBD
88.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N4O2S
MW 426.59
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.63

Literature References

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

Data from ChEMBL 36 via Core Engine