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Compound Detail

CHEMBL3981929

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O=C1NCC(c2ccc(Cl)cc2)N1c1ccc2[nH]cnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3981929
Phase Preclinical
Structure Type MOL
InChI Key YLESOLRFQYHREY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.8
MW (Da)
3.49
ALogP
2
HBA
2
HBD
61.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClN4O
MW 312.76
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine