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Compound Detail

CHEMBL3287863

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CC1Oc2cc(-c3ccc([C@H]4CC[C@H](CC(=O)O)CC4)cc3)ccc2N(C(=O)Nc2ccccc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3287863
Phase Preclinical
Structure Type MOL
InChI Key FECOMPJHIVPWHW-XPUGBJAQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
6.45
ALogP
4
HBA
2
HBD
95.9
PSA (Ų)
0.42
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 C30H30N2O5
MW 498.58
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.45

Literature References

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

Data from ChEMBL 36 via Core Engine