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Compound Detail

CHEMBL436171

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CCOC(=O)/C=C1\C2C(C(=O)N1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C1CCC2C1(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL436171
Phase Preclinical
Structure Type MOL
InChI Key UIEBEMYITYJWNJ-GZZLJNBRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

621.7
MW (Da)
6.58
ALogP
6
HBA
1
HBD
101.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H35N5O3
MW 621.74
Aromatic Rings 5
Heavy Atoms 47
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80914-8 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine