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Compound Detail

CHEMBL3261121

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COc1ccccc1NC(=O)c1sc2nc(C)c(C(=O)Nc3ccc(C)cc3C)c(-c3ccc(NC(C)=O)cc3)c2c1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3261121
Phase Preclinical
Structure Type MOL
InChI Key PIGPQQPVHZXNKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

593.7
MW (Da)
6.94
ALogP
7
HBA
4
HBD
135.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H31N5O4S
MW 593.71
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
24754677 10.1021/jm500167q Discoidin domain-containing receptor 2 3

Data from ChEMBL 36 via Core Engine