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Compound Detail

CHEMBL2385809

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O=C(Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)c1cnc2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2385809
Phase Preclinical
Structure Type MOL
InChI Key WKDRROKYZWTIOB-IXAFCNGASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

785.9
MW (Da)
12.52
ALogP
5
HBA
3
HBD
112.2
PSA (Ų)
0.16
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C53H35N7O
MW 785.91
Aromatic Rings 9
Heavy Atoms 61
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
23639546 10.1016/j.bmcl.2013.03.126 Unchecked 2
23639546 10.1016/j.bmcl.2013.03.126 A549 2
23639546 10.1016/j.bmcl.2013.03.126 DNA 1

Data from ChEMBL 36 via Core Engine