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Compound Detail

CHEMBL1204228

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CC(C)C(=O)Nc1cccc(N2CCN(CCCN3C(=O)C4CCCCN4C3=O)CC2)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204228
Phase Preclinical
Structure Type MOL
InChI Key HVFWMUGSHULTCM-UHFFFAOYSA-N
Parent Compound CHEMBL59062
Active Moiety CHEMBL59062
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.6
MW (Da)
2.61
ALogP
5
HBA
1
HBD
76.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H36ClN5O3
MW 478.04
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
11170628 10.1021/jm000929u 5-hydroxytryptamine receptor 1A 1
11170628 10.1021/jm000929u Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine