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Compound Detail

CHEMBL495873

MAHANIMBINE
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CC(C)=CCCC1(C)C=Cc2c(c(C)cc3c2[nH]c2ccccc23)O1

Basic Information

ChEMBL ID CHEMBL495873
Name MAHANIMBINE
Phase Preclinical
Structure Type MOL
InChI Key HTNVFUBCWIYPJN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
6.54
ALogP
1
HBA
1
HBD
25.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H25NO
MW 331.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 2.48

Activity Summary

IC50 2 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.85 5.85 1400.0 1
Pancreatic triacylglycerol lipase
CHEMBL1812
IC50 4.75 4.75 17900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23376010 10.1016/j.bmc.2013.01.012 Tyrosinase 5
23376010 10.1016/j.bmc.2013.01.012 ADMET 4
23376010 10.1016/j.bmc.2013.01.012 Unchecked 3
10757740 10.1021/np990570g Human immunodeficiency virus 1
27908755 10.1016/j.bmc.2016.11.031 Pancreatic triacylglycerol lipase 1

Data from ChEMBL 36 via Core Engine