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Compound Detail

CHEMBL3287859

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O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)N(C(=O)Nc3ccccc3)CCO4)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3287859
Phase Preclinical
Structure Type MOL
InChI Key XNHBCSVQYWMKRG-MEMLXQNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
6.53
ALogP
3
HBA
2
HBD
78.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30N2O4
MW 470.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
24900877 10.1021/ml400527n Diacylglycerol O-acyltransferase 1 2

Data from ChEMBL 36 via Core Engine