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Compound Detail

CHEMBL4558200

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Cc1cccc(-c2cnc(N3C[C@@H](C)N[C@@H](C)C3)nc2N)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4558200
Phase Preclinical
Structure Type MOL
InChI Key LTKSITXCLGFEBK-BETUJISGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
2.53
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N5
MW 311.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
27347692 10.1021/acs.jmedchem.6b00680 Tyrosine-protein phosphatase non-receptor type 11 1
32910655 10.1021/acs.jmedchem.0c01170 Tyrosine-protein phosphatase non-receptor type 11 1

Data from ChEMBL 36 via Core Engine