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Compound Detail

CHEMBL79003

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CCN1/C(=C/C=C/c2oc3ccccc3[n+]2CC)Oc2ccccc21.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL79003
Phase Preclinical
Structure Type MOL
InChI Key FIZZUEJIOKEFFZ-UHFFFAOYSA-M
Parent Compound CHEMBL1179492
Active Moiety CHEMBL1179492
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
4.51
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21IN2O2
MW 460.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
11549435 10.1016/s0960-894x(01)00490-5 DNA polymerase I, thermostable 2
17548493 10.1128/aac.00090-07 MDCK 2
19432420 10.1021/jm900116d Unchecked 2
11549435 10.1016/s0960-894x(01)00490-5 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine