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Compound Detail

CHEMBL3967332

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Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@H]1C[C@@H]4C[C@H]([C@@H]1C)C4(C)C)C(=O)C(O)=C3C(C)C)/C(=C/N[C@H]1C[C@@H]3C[C@H]([C@@H]1C)C3(C)C)C(=O)C(O)=C2C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3967332
Phase Preclinical
Structure Type MOL
InChI Key ZZJNERNQXJASHY-JDENWKDNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

789.1
MW (Da)
10.40
ALogP
8
HBA
6
HBD
139.1
PSA (Ų)
0.15
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H64N2O6
MW 789.07
Aromatic Rings 2
Heavy Atoms 58
NP-Likeness 0.57

Literature References

PubMed DOI Target Context # Activities
27994761 10.1021/acsmedchemlett.6b00302 NON-PROTEIN TARGET 4

Data from ChEMBL 36 via Core Engine