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Compound Detail

CHEMBL5435399

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CNC(=O)[C@@H]1CC[C@@H](n2c(-c3cc(Cl)cc(Cl)c3)nc3ccc(C(=O)NCc4cccc(C(N)=O)c4)cc32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5435399
Phase Preclinical
Structure Type MOL
InChI Key DONDBHNQFVWNAD-WZONZLPQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

564.5
MW (Da)
5.13
ALogP
5
HBA
3
HBD
119.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27Cl2N5O3
MW 564.47
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
36719862 10.1021/acs.jmedchem.2c01886 Bone morphogenetic protein receptor type-2 1

Data from ChEMBL 36 via Core Engine