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Compound Detail

CHEMBL4759194

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CCn1c(CN2CCN(C(=O)c3c(C)nn(C)c3C)CC2)nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4759194
Phase Preclinical
Structure Type MOL
InChI Key PHUCKQUYOCBRGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
2.36
ALogP
6
HBA
0
HBD
59.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N6O
MW 380.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.35

Literature References

PubMed DOI Target Context # Activities
33488970 10.1021/acsmedchemlett.0c00551 Unchecked 5
33488970 10.1021/acsmedchemlett.0c00551 Human immunodeficiency virus 1 2
33488970 10.1021/acsmedchemlett.0c00551 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha 1
33488970 10.1021/acsmedchemlett.0c00551 Mitochondrial inner membrane m-AAA protease component AFG3L2 1
33488970 10.1021/acsmedchemlett.0c00551 NmrA-like family domain-containing protein 1 1
33488970 10.1021/acsmedchemlett.0c00551 Protein farnesyltransferase subunit beta 1

Data from ChEMBL 36 via Core Engine