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Compound Detail

CHEMBL330609

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Cc1ccc(/C=C2\CN(C)CC3C2=NN(c2ccccc2)C3c2ccc(C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330609
Phase Preclinical
Structure Type MOL
InChI Key LESIUXAPNLUCAI-JJIBRWJFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

407.6
MW (Da)
5.87
ALogP
3
HBA
0
HBD
18.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29N3
MW 407.56
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
10956199 10.1021/jm000038m Unchecked 2
10956199 10.1021/jm000038m MT4 1
10956199 10.1021/jm000038m Human immunodeficiency virus 1 1
10956199 10.1021/jm000038m Panel leukemia (Carcinoma cell lines) 1
10956199 10.1021/jm000038m NSCLC 1
10956199 10.1021/jm000038m NON-PROTEIN TARGET 1
10956199 10.1021/jm000038m Panel CNS (Carcinoma cell lines) 1
10956199 10.1021/jm000038m Panel melanoma (Carcinoma cell lines) 1
10956199 10.1021/jm000038m Ovarian cancer cell line 1
10956199 10.1021/jm000038m Panel renal (Carcinoma cell lines) 1
10956199 10.1021/jm000038m Panel prostate (Carcinoma cell lines) 1
10956199 10.1021/jm000038m Breast cancer cell line 1

Data from ChEMBL 36 via Core Engine