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Compound Detail

CHEMBL259397

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CCC1c2ncccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259397
Phase Preclinical
Structure Type MOL
InChI Key DJLLOPXCLRKKSC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
4.04
ALogP
5
HBA
1
HBD
87.7
PSA (Ų)
0.55
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 C23H20N6O
MW 396.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
18318468 10.1021/jm7011563 Type-1 angiotensin II receptor A 1

Data from ChEMBL 36 via Core Engine