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Compound Detail

CHEMBL2323767

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Cc1cc2c3ccc(O)cc3n3c2c2c1O[C@@]1(C)CC[C@H]([C@H]2C1)C3(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323767
Phase Preclinical
Structure Type MOL
InChI Key YDUWCKHQORLZSO-QZMQVMSPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
5.59
ALogP
3
HBA
1
HBD
34.4
PSA (Ų)
0.57
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H25NO2
MW 347.46
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 1.98

Activity Summary

IC50 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.54 5.54 2900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2900.0 nM 5.54 Inhibition of theophylline-induced melanogenesis in mouse B16-4A5 cells after 72... 23376010

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 Unchecked 5
23376010 10.1016/j.bmc.2013.01.012 ADMET 4

Data from ChEMBL 36 via Core Engine