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Compound Detail

CHEMBL5284543

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Cc1cc(C)n(CCCC[C@H]2CO[C@H](c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)OC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5284543
Phase Preclinical
Structure Type MOL
InChI Key RXERRFMVNHOERJ-RSIILCRJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
6.09
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N4O2
MW 456.59
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
34213340 10.1021/acs.jmedchem.1c00790 Sterol O-acyltransferase 1 1

Data from ChEMBL 36 via Core Engine