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Compound Detail

CHEMBL4567922

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CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)OCc6ccccc6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4567922
Phase Preclinical
Structure Type MOL
InChI Key AIFWXRFRLBXBRX-VDZTVYJCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

773.1
MW (Da)
10.13
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H72N2O6
MW 773.11
Aromatic Rings 1
Heavy Atoms 56
NP-Likeness 1.57

Literature References

PubMed DOI Target Context # Activities
31226654 10.1016/j.ejmech.2019.06.029 A549 1
31226654 10.1016/j.ejmech.2019.06.029 MCF7 1
31226654 10.1016/j.ejmech.2019.06.029 HepG2 1
31226654 10.1016/j.ejmech.2019.06.029 HeLa 1
31226654 10.1016/j.ejmech.2019.06.029 MDCK 1

Data from ChEMBL 36 via Core Engine