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Compound Detail

CHEMBL490068

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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(CCCl)[C@H]1[C@H]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490068
Phase Preclinical
Structure Type MOL
InChI Key AWAJIECEVYZAAJ-JIDVOABASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.1
MW (Da)
6.55
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H44ClNO2
MW 486.14
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 1.83

Literature References

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

Data from ChEMBL 36 via Core Engine