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Compound Detail

CHEMBL1195680

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CCCn1c(C)c(C(=O)c2cc(NC(=O)CN)cc3ccccc23)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195680
Phase Preclinical
Structure Type MOL
InChI Key IQQALPUCGZQWLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
4.64
ALogP
4
HBA
2
HBD
77.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N3O2
MW 399.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.06

Data from ChEMBL 36 via Core Engine