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Compound Detail

CHEMBL1191402

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CCC1=CC2CC(C1)Cc1nc3ccccc3c(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191402
Phase Preclinical
Structure Type MOL
InChI Key JTXWLCKLIIRZKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

264.4
MW (Da)
4.20
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2
MW 264.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.04

Data from ChEMBL 36 via Core Engine