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Compound Detail

CHEMBL1485211

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C[n+]1ccc(/C=C/c2c[nH]c3ccccc23)cc1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1485211
Phase Preclinical
Structure Type MOL
InChI Key UURAKYSOOXPORG-UHFFFAOYSA-N
Parent Compound CHEMBL586830
Active Moiety CHEMBL586830
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
3.16
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15IN2
MW 362.21
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C6MD00268D ADMET 2
- 10.6019/EOS300108 HepG2 1
38169372 10.1021/acs.jmedchem.3c01508 NCI-H1975 1
38169372 10.1021/acs.jmedchem.3c01508 BEAS-2B 1
38169372 10.1021/acs.jmedchem.3c01508 MCF7 1
38169372 10.1021/acs.jmedchem.3c01508 A549 1
38169372 10.1021/acs.jmedchem.3c01508 NCI-H460 1
38086195 10.1016/j.ejmech.2023.115996 Unchecked 1
38086195 10.1016/j.ejmech.2023.115996 NCI-H446 1
38086195 10.1016/j.ejmech.2023.115996 A549 1
38086195 10.1016/j.ejmech.2023.115996 L02 1
38086195 10.1016/j.ejmech.2023.115996 HepG2 1

Data from ChEMBL 36 via Core Engine