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Compound Detail

CHEMBL1908971

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Nc1ccc(/C=C/c2cc(=O)c3cc(I)ccc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1908971
Phase Preclinical
Structure Type MOL
InChI Key BPBMAJAZUBZQED-XVNBXDOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.2
MW (Da)
4.15
ALogP
3
HBA
1
HBD
56.2
PSA (Ų)
0.53
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 C17H12INO2
MW 389.19
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine