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Compound Detail

CHEMBL1652147

DEHYDROABIETAMIDE
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CC(C)c1ccc2c(c1)CC[C@@]1(C)[C@](C)(C(N)=O)CCC[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1652147
Name DEHYDROABIETAMIDE
Phase Preclinical
Structure Type MOL
InChI Key SIXVQHIRXMPXGZ-QHAWAJNXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

313.5
MW (Da)
4.70
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31NO
MW 313.49
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.00

Activity Summary

EC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 13000.0 nM 4.89 Antiviral activity against JC polyomavirus M1/SVEdelta infected in human SVG-A c... 19258267

Literature References

PubMed DOI Target Context # Activities
19258267 10.1128/aac.01614-08 ADMET 2
19258267 10.1128/aac.01614-08 NON-PROTEIN TARGET 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1

Data from ChEMBL 36 via Core Engine