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Compound Detail

CHEMBL137845

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Cc1c(C)c2c(c(C)c1O)CCC(C)(CNCCc1ccccn1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL137845
Phase Preclinical
Structure Type MOL
InChI Key WQAXIFPOJZCRJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
3.63
ALogP
4
HBA
2
HBD
54.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N2O2
MW 340.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.46

Data from ChEMBL 36 via Core Engine