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Compound Detail

CHEMBL3940272

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CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C=C(NC7=C[C@]8(C)[C@H]9CC[C@@H]%10[C@@H]%11[C@H]%12OC[C@@]%11(CCC%12(C)C)CC[C@@]%10(C)[C@]9(C)CC[C@H]8C(C)(C)C7=O)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3940272
Phase Preclinical
Structure Type MOL
InChI Key WOIKXIWHCZZHGC-XTWPONGDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

890.4
MW (Da)
13.70
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.30
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 C60H91NO4
MW 890.39
Aromatic Rings 0
Heavy Atoms 65
NP-Likeness 1.37

Literature References

PubMed DOI Target Context # Activities
27236068 10.1016/j.ejmech.2016.05.029 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine