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Compound Detail

CHEMBL2111534

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CC(=C/C(=O)O)/C=C/C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2111534
Phase Preclinical
Structure Type MOL
InChI Key HMDVFKHLXNHBGR-YCBPJFTGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

366.6
MW (Da)
6.21
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34O2
MW 366.55
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 1.30

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00588-K Retinoic acid receptor alpha 2
- 10.1016/0960-894X(95)00588-K Retinoic acid receptor beta 2
- 10.1016/0960-894X(95)00588-K Retinoic acid receptor gamma 2
- 10.1016/0960-894X(95)00588-K Retinoic acid receptor RXR-alpha 2
- 10.1016/0960-894X(95)00588-K Retinoic acid receptor RXR-beta 2
- 10.1016/0960-894X(95)00588-K Retinoic acid receptor RXR-gamma 2

Data from ChEMBL 36 via Core Engine