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Compound Detail

CHEMBL5997211

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CC1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(=O)CCC6(C)C5C=CC4(OC2)C3C1C

Basic Information

ChEMBL ID CHEMBL5997211
Phase Preclinical
Structure Type MOL
InChI Key PKMBOLUTQNQQBP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.7
MW (Da)
7.22
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H46O2
MW 438.70
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 3.58

Activity Summary

Ki 2 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 4.96 4.96 11000.0 1
Tyrosine-protein phosphatase non-receptor type 1
CHEMBL335
Ki 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine