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Compound Detail

CHEMBL3233723

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CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C=C(N)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3

Basic Information

ChEMBL ID CHEMBL3233723
Phase Preclinical
Structure Type MOL
InChI Key RDJZZBCCGPKKCM-KCBLQPAFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

453.7
MW (Da)
6.51
ALogP
3
HBA
1
HBD
52.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H47NO2
MW 453.71
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 3.01

Literature References

PubMed DOI Target Context # Activities
24694263 10.1021/np400947d NON-PROTEIN TARGET 2
24694263 10.1021/np400947d MCF7 1
24694263 10.1021/np400947d SF-268 1
24694263 10.1021/np400947d NCI-H460 1
24694263 10.1021/np400947d DU-145 1
27236068 10.1016/j.ejmech.2016.05.029 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine