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Compound Detail

CHEMBL194404

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CC1(C)CCC2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)C2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL194404
Phase Preclinical
Structure Type MOL
InChI Key IIAWNEDZKNPAQI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.6
MW (Da)
4.28
ALogP
3
HBA
1
HBD
44.7
PSA (Ų)
0.83
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 C24H33N3O
MW 379.55
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
16098744 10.1016/j.bmcl.2005.06.094 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine