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Compound Detail

CHEMBL2385576

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COc1ccc(-c2cnc3c(-c4cnc5ccccn45)cnn3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2385576
Phase Preclinical
Structure Type MOL
InChI Key KRMWOFZHKCTDAZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.72
ALogP
6
HBA
0
HBD
56.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N5O
MW 341.37
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
23639540 10.1016/j.bmcl.2013.03.113 Bone morphogenetic protein 4 1

Data from ChEMBL 36 via Core Engine