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Compound Detail

CHEMBL510090

LYSICAMINE
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COc1cc2ccnc3c2c(c1OC)-c1ccccc1C3=O

Basic Information

ChEMBL ID CHEMBL510090
Name LYSICAMINE
Phase Preclinical
Structure Type MOL
InChI Key DPBMWJXWUINLQT-UHFFFAOYSA-N
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
3.46
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H13NO3
MW 291.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.90

Activity Summary

IC50 7 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 5.19 5.19 6400.0 1
WI-38
CHEMBL614391
IC50 5.17 5.17 6700.0 1
T-24
CHEMBL614774
IC50 5.14 5.14 7300.0 1
SK-OV-3
CHEMBL614925
IC50 4.92 4.92 12100.0 1
MGC-803
CHEMBL3706566
IC50 4.8 4.8 15800.0 1
Acetylcholinesterase
CHEMBL4078
IC50 4.79 4.79 16100.0 1
Unchecked
CHEMBL612545
IC50 4.75 4.75 17800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23270663 10.1016/j.bmc.2012.11.038 Unchecked 4
9868142 10.1021/np9800046 Platelet 4
8158166 10.1021/np50103a009 Saccharomyces cerevisiae 4
20476748 10.1021/np100013r Staphylococcus aureus 3
9584402 10.1021/np970382v Poliovirus 2 3
9584402 10.1021/np970382v Vero 2
33939429 10.1021/acs.jnatprod.1c00146 RAW264.7 2
20476748 10.1021/np100013r Candida dubliniensis 2
23270663 10.1016/j.bmc.2012.11.038 ADMET 2
8676127 10.1021/np50124a001 Sodium-dependent dopamine transporter 1
- 10.1021/np50019a011 KB 1
20476748 10.1021/np100013r NON-PROTEIN TARGET 1
20476748 10.1021/np100013r Kocuria rhizophila 1
11374955 10.1021/np0005208 HepG2 1
20476748 10.1021/np100013r Staphylococcus epidermidis 1
20476748 10.1021/np100013r Escherichia coli 1
20476748 10.1021/np100013r Pseudomonas aeruginosa 1
20476748 10.1021/np100013r Candida albicans 1
35092899 10.1016/j.ejmech.2022.114141 WI-38 1
20476748 10.1021/np100013r Nakaseomyces glabratus 1

Data from ChEMBL 36 via Core Engine