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Compound Detail

CHEMBL214718

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CCCCCCCCCCCCC1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214718
Phase Preclinical
Structure Type MOL
InChI Key JKQNYPLMQCCSFE-PPTMTGTBSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

443.7
MW (Da)
9.81
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H45N
MW 443.72
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.38

Pharmacokinetic Data

Parameter Value Units Species
T1/2 12.0 hr -

Literature References

PubMed DOI Target Context # Activities
17154495 10.1021/jm060990k Nuclear receptor subfamily 5 group A member 2 1
17154495 10.1021/jm060990k Steroidogenic factor 1 1
17154495 10.1021/jm060990k No relevant target 1

Data from ChEMBL 36 via Core Engine