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Compound Detail

CHEMBL77474

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CCCCCCCCCCCCn1nnc(C(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2nnn[nH]2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL77474
Phase Preclinical
Structure Type MOL
InChI Key XDIKYYFOVGUYKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

523.7
MW (Da)
6.12
ALogP
8
HBA
2
HBD
127.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H45N9O
MW 523.73
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
8691430 10.1021/jm960170f Sterol O-acyltransferase 1 2
8691430 10.1021/jm960170f Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine