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Compound Detail

CHEMBL3108932

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CCCCNC(=O)O[C@@H](C)/C=C\C(=O)N[C@H]1CO[C@@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3108932
Phase Preclinical
Structure Type MOL
InChI Key NIVOIQBBOZRMAS-RWGRZISVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

520.7
MW (Da)
3.93
ALogP
7
HBA
2
HBD
107.7
PSA (Ų)
0.18
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 C28H44N2O7
MW 520.67
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 1.12

Literature References

PubMed DOI Target Context # Activities
24325474 10.1021/jm401370h PC-3 1
24325474 10.1021/jm401370h NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine