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Compound Detail

CHEMBL106500

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CC(C)OC(=O)OC(C)OC(=O)COC1CCN(C(=O)[C@H](C)NC(=O)c2ccc(C(=N)NO)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL106500
Phase Preclinical
Structure Type MOL
InChI Key RCDRXHDBTDLYSN-VYRBHSGPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

522.6
MW (Da)
1.57
ALogP
10
HBA
4
HBD
176.6
PSA (Ų)
0.12
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N4O9
MW 522.56
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
8759635 10.1021/jm9509298 Homo sapiens 2
8759635 10.1021/jm9509298 Integrin alpha-IIb/beta-3 1

Data from ChEMBL 36 via Core Engine