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Compound Detail

CHEMBL225111

LANOSTEROL
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CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3

Basic Information

ChEMBL ID CHEMBL225111
Name LANOSTEROL
Phase Preclinical
Structure Type MOL
InChI Key CAHGCLMLTWQZNJ-BQNIITSRSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

426.7
MW (Da)
8.48
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H50O
MW 426.73
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 3.42

Activity Summary

Kd 2 meas. best 7.55
EC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Kd 7.55 6.73 28.0 2
Alpha-crystallin B chain
CHEMBL3621022
EC50 5.85 5.85 1420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17049251 10.1016/j.bmc.2006.09.064 Human gammaherpesvirus 4 4
38683753 10.1021/acs.jmedchem.4c00303 Unchecked 4
34842434 10.1021/acs.jmedchem.1c01710 Unchecked 4
22647881 10.1016/j.bmc.2012.05.003 Unchecked 4
22647881 10.1016/j.bmc.2012.05.003 Steroid C26-monooxygenase 3
30153006 10.1021/acs.jmedchem.8b00705 Alpha-crystallin B chain 3
20660663 10.1128/aac.00316-10 14-alpha sterol demethylase 2
28783356 10.1021/acs.jnatprod.7b00375 PANC-1 1
17049251 10.1016/j.bmc.2006.09.064 Raji 1
17194716 10.1124/dmd.106.013888 Lanosterol 14-alpha demethylase 1
31663733 10.1021/acs.jmedchem.9b01485 Unchecked 1
30153006 10.1021/acs.jmedchem.8b00705 Gamma-crystallin D 1
30153006 10.1021/acs.jmedchem.8b00705 Gamma-crystallin C 1
30153006 10.1021/acs.jmedchem.8b00705 Beta-crystallin B2 1
30153006 10.1021/acs.jmedchem.8b00705 Alpha-crystallin A chain 1
24359303 10.1021/np400552w Unchecked 1
24359303 10.1021/np400552w NON-PROTEIN TARGET 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
- 10.1021/np50014a012 Phytophthora cactorum 1

Data from ChEMBL 36 via Core Engine