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Compound Detail

CHEMBL4762875

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COC12CC3CC(CC(Cn4ncc(-c5ccc(N6CCc7cccc(C(=O)Nc8nc9ccccc9s8)c7C6)nc5C(=O)O)c4C)(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4762875
Phase Preclinical
Structure Type MOL
InChI Key QQIPLRAEUZGAKW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

688.9
MW (Da)
7.36
ALogP
9
HBA
2
HBD
122.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H40N6O4S
MW 688.85
Aromatic Rings 5
Heavy Atoms 50
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
33062160 10.1021/acsmedchemlett.9b00568 Bcl-2-like protein 1 1

Data from ChEMBL 36 via Core Engine