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Compound Detail

CHEMBL538826

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CCCCn1c(=O)c(NC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)c(-c2cccc(OCCO)c2)c2cccnc21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538826
Phase Preclinical
Structure Type MOL
InChI Key ZKBPYAJHIWRKPG-UHFFFAOYSA-N
Parent Compound CHEMBL1189499
Active Moiety CHEMBL1189499
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

571.7
MW (Da)
6.71
ALogP
7
HBA
4
HBD
131.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H42ClN5O4
MW 608.18
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
16242323 10.1016/j.bmcl.2005.09.056 No relevant target 3
16242323 10.1016/j.bmcl.2005.09.056 Sterol O-acyltransferase 1 1

Data from ChEMBL 36 via Core Engine