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Compound Detail

CHEMBL138624

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C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138624
Phase Preclinical
Structure Type MOL
InChI Key XQVGTZGCVGMMGP-LWQDQPMZSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

662.8
MW (Da)
7.80
ALogP
2
HBA
2
HBD
69.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H36N7+3
MW 662.82
Aromatic Rings 7
Heavy Atoms 51
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
11741471 10.1021/jm010246u Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine