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Compound Detail

CHEMBL2011802

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O=C(NCc1ccccc1O)c1cc(C23CC4CC(CC(C4)C2)C3)c(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011802
Phase Preclinical
Structure Type MOL
InChI Key KYTBXVRSVFWBHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
4.20
ALogP
4
HBA
4
HBD
89.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27NO4
MW 393.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
22300660 10.1016/j.bmcl.2011.12.144 B16 2
22300660 10.1016/j.bmcl.2011.12.144 Tyrosinase 1

Data from ChEMBL 36 via Core Engine