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Compound Detail

CHEMBL4215820

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CC(C)c1nc2cccc(C(=O)NCC3CCN(C(C)C)CC3)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4215820
Phase Preclinical
Structure Type MOL
InChI Key OICLMOYYTDIION-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
4
PK Parameters
3
Publications
0
Known Names

Molecular Properties

343.5
MW (Da)
2.70
ALogP
5
HBA
1
HBD
62.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H29N5O
MW 343.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.73

Pharmacokinetic Data

Parameter Value Units Species
AUC - - Rattus norvegicus
CL - - Rattus norvegicus
Cmax - - Rattus norvegicus
F - % Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
29763304 10.1021/acs.jmedchem.8b00457 Rattus norvegicus 4
29763304 10.1021/acs.jmedchem.8b00457 ADMET 3
29763304 10.1021/acs.jmedchem.8b00457 5-hydroxytryptamine receptor 4 1

Data from ChEMBL 36 via Core Engine