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Compound Detail

CHEMBL504507

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CC1=C2C[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(Cc3ccccc3)[C@H]1[C@H]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL504507
Phase Preclinical
Structure Type MOL
InChI Key DQYFOYVDENZYRV-UJTDLHSNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.8
MW (Da)
7.51
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.38
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H47NO2
MW 513.77
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness 1.51

Literature References

PubMed DOI Target Context # Activities
18842035 10.1021/jm8008508 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine