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Compound Detail

CHEMBL57535

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c1ccc2c(CN3CCCCC3)c[nH]c2c1

Basic Information

ChEMBL ID CHEMBL57535
Phase Preclinical
Structure Type MOL
InChI Key HPKXPFRRVVWAPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
3.15
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.81
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 C14H18N2
MW 214.31
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5606458 Nonstructural protein 3 3
- 10.6019/CHEMBL5606460 Genome polyprotein 3
27280380 10.1021/acs.jmedchem.6b00478 Unchecked 2
27280380 10.1021/acs.jmedchem.6b00478 Cortical neurone 2
27280380 10.1021/acs.jmedchem.6b00478 SH-SY5Y 2
8642550 10.1021/jm9600712 D(2) dopamine receptor 1
8642550 10.1021/jm9600712 D(3) dopamine receptor 1
8642550 10.1021/jm9600712 D(4) dopamine receptor 1
27280380 10.1021/acs.jmedchem.6b00478 Voltage-gated calcium channel 1
- 10.6019/CHEMBL5604062 Nonstructural protein 3 1

Data from ChEMBL 36 via Core Engine