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Compound Detail

CHEMBL466802

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Cc1cc(C(=O)N(C)Cc2ccccc2)nn1-c1ccccc1C(=O)N1CCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL466802
Phase Preclinical
Structure Type MOL
InChI Key SMAPJLFXDGIAPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
4.65
ALogP
4
HBA
0
HBD
58.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N4O2
MW 464.57
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
19027294 10.1016/j.bmcl.2008.10.113 Apoptosis regulator Bcl-2 1

Data from ChEMBL 36 via Core Engine