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Compound Detail

CHEMBL490512

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O=C(CCc1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490512
Phase Preclinical
Structure Type MOL
InChI Key QGGZBXOADPVUPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

210.3
MW (Da)
3.50
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H14O
MW 210.28
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
36356534 10.1016/j.bmc.2022.117072 Unchecked 6
- 10.6019/CHEMBL3301361 No relevant target 2
36356534 10.1016/j.bmc.2022.117072 HCT-116 2
18672373 10.1016/j.bmc.2008.03.056 Type-1 angiotensin II receptor A 1
36356534 10.1016/j.bmc.2022.117072 DLD-1 1
36356534 10.1016/j.bmc.2022.117072 HT-29 1
36356534 10.1016/j.bmc.2022.117072 FHC 1
36868105 10.1016/j.ejmech.2023.115238 Unchecked 1
36868105 10.1016/j.ejmech.2023.115238 CRMM-2 1
36868105 10.1016/j.ejmech.2023.115238 CRMM-1 1

Data from ChEMBL 36 via Core Engine