Details of the Drug

General Information of Drug (ID: DMFBNI6)

Drug Name

Ceronapril

Synonyms

Ceranapril; SQ-29852

Indication

Disease Entry	ICD 11	Status	REF
Major depressive disorder	6A70.3	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

440.5

Logarithm of the Partition Coefficient (xlogp)

-0.7

Rotatable Bond Count (rotbonds)

13

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C21H33N2O6P
IUPAC Name: (2S)-1-[(2S)-6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxyhexanoyl]pyrrolidine-2-carboxylic acid
Canonical SMILES: C1C[C@H](N(C1)C(=O)[C@H](CCCCN)OP(=O)(CCCCC2=CC=CC=C2)O)C(=O)O
InChI: InChI=1S/C21H33N2O6P/c22-14-6-4-13-19(20(24)23-15-8-12-18(23)21(25)26)29-30(27,28)16-7-5-11-17-9-2-1-3-10-17/h1-3,9-10,18-19H,4-8,11-16,22H2,(H,25,26)(H,27,28)/t18-,19-/m0/s1
InChIKey: IFYLTXNCFVRALQ-OALUTQOASA-N

Cross-matching ID

PubChem CID: 189729
CAS Number: 111223-26-8
TTD ID: D05NRI
VARIDT ID: DR01360

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensin-converting enzyme (ACE)	TTL69WB	ACE_HUMAN	Inhibitor	[2]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Peptide transporter 1 (SLC15A1)	DT9G7XN	S15A1_HUMAN	Substrate	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

ICD Disease Classification

06 Mental, behavioural or neurodevelopmental disorder

Disease Class

ICD-11: 6A20 Schizophrenia

The Studied Tissue

Pre-frontal cortex

The Studied Disease

Major depressive disorder [ICD-11:6A20]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Angiotensin-converting enzyme (ACE)	DTT	SLC33A1	2.62E-01	-0.01	-0.06
Peptide transporter 1 (SLC15A1)	DTP	PEPT1	6.91E-01	8.30E-03	7.24E-02

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000355)
2	Radioimmunoassay for ceronapril, a new angiotensin-converting enzyme inhibitor, and its application to a pharmacokinetic study in healthy male volunteers. Ther Drug Monit. 1992 Jun;14(3):209-19.
3	Pharmaceutical and pharmacological importance of peptide transporters. J Pharm Pharmacol. 2008 May;60(5):543-85.