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Compound Detail

CHEMBL445874

ADAMANTANEACETIC ACID
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O=C(O)CC12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL445874
Name ADAMANTANEACETIC ACID
Phase Preclinical
Structure Type MOL
InChI Key AOTQGWFNFTVXNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

194.3
MW (Da)
2.68
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.73
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 C12H18O2
MW 194.27
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
19056282 10.1016/j.bmc.2008.11.040 ADMET 1
10417314 10.1042/0264-6021:3410529 Monocarboxylate transporter 2 1
10417314 10.1042/0264-6021:3410529 Monocarboxylate transporter 1 1

Data from ChEMBL 36 via Core Engine