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Compound Detail

CHEMBL173166

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CC1=C[C@@H]2c3cccc4[nH]c(Sc5ccc(Cl)cc5)c(c34)C[C@H]2N(C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173166
Phase Preclinical
Structure Type MOL
InChI Key VDCCXVJDPWZQTG-YLJYHZDGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

380.9
MW (Da)
5.87
ALogP
2
HBA
1
HBD
19.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21ClN2S
MW 380.94
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.53

Literature References

PubMed DOI Target Context # Activities
8096548 10.1021/jm00059a017 D(2) dopamine receptor 1
8096548 10.1021/jm00059a017 Mus musculus 1
8096548 10.1021/jm00059a017 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine